5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-6-oxo-1H-pyrimidine

C14H23N5O4S — CID 72922486

IUPAC5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-6-oxo-1H-pyrimidine
SMILESCC(C)[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1NS(=O)(=O)N(C)C
InChIInChI=1S/C14H23N5O4S/c1-9(2)11-6-19(7-12(11)17-24(22,23)18(3)4)14(21)10-5-15-8-16-13(10)20/h5,8-9,11-12,17H,6-7H2,1-4H3,(H,15,16,20)/t11-,12+/m0/s1
InChIKeyQONSRXMPLQGBPQ-NWDGAFQWSA-N
MW357.44 g/mol
LogP-0.74
Rot. Bonds5

About 5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-6-oxo-1H-pyrimidine

5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-6-oxo-1H-pyrimidine (PubChem CID 72922486) has the molecular formula C14H23N5O4S and a molecular weight of 357.44 g/mol. Its IUPAC name is 5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-6-oxo-1H-pyrimidine.

Molecular Properties

Compound Name5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-6-oxo-1H-pyrimidine
PubChem CID72922486
Molecular FormulaC14H23N5O4S
Molecular Weight357.44 g/mol
Exact Mass357.15
IUPAC Name5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-6-oxo-1H-pyrimidine
SMILESCC(C)[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1NS(=O)(=O)N(C)C
InChIInChI=1S/C14H23N5O4S/c1-9(2)11-6-19(7-12(11)17-24(22,23)18(3)4)14(21)10-5-15-8-16-13(10)20/h5,8-9,11-12,17H,6-7H2,1-4H3,(H,15,16,20)/t11-,12+/m0/s1
InChIKeyQONSRXMPLQGBPQ-NWDGAFQWSA-N
XLogP-0.74
TPSA115.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-6-oxo-1H-pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

N-[rel-(3R,4S)-1-(2-methoxyethyl)-4-propyl-3-pyrrolidinyl]-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide hydrochloride
CID 72851751
N-[rel-(3R,4S)-1-(3-methoxypropyl)-4-propyl-3-pyrrolidinyl]-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide hydrochloride
CID 72864856
N-{(3R*,4S*)-4-isopropyl-1-[(3E)-4-methyl-3-hexen-1-yl]-3-pyrrolidinyl}-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide
CID 72876645
5-{[(3S*,4R*)-3-(dimethylamino)-4-isopropyl-1-pyrrolidinyl]carbonyl}-2-methyl-4(3H)-pyrimidinone
CID 72879237
N-{rel-(3R,4S)-4-isopropyl-1-[2-(methylsulfonyl)ethyl]-3-pyrrolidinyl}-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide hydrochloride
CID 72929171
N-[(3R,4S)-1-(4-methylhex-3-enyl)-4-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 91940305
N-[(1-isopropylpyrrolidin-2-yl)methyl]-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 131897080
N-[(3R*,4S*)-1-(3-methoxypropyl)-4-propyl-3-pyrrolidinyl]-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide
CID 133130865
N-[(3R*,4S*)-1-(2-methoxyethyl)-4-propyl-3-pyrrolidinyl]-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide
CID 133134152
N-{(3R*,4S*)-4-isopropyl-1-[2-(methylsulfonyl)ethyl]-3-pyrrolidinyl}-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide
CID 133135473
N-[(3R,4S)-1-(3-methoxypropyl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
CID 154897662
N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
CID 154899022

Frequently Asked Questions

What is the IUPAC name of 5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-6-oxo-1H-pyrimidine?
The IUPAC name of 5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-6-oxo-1H-pyrimidine (CID 72922486) is 5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-6-oxo-1H-pyrimidine.
What is the SMILES notation for 5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-6-oxo-1H-pyrimidine?
The canonical SMILES for 5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-6-oxo-1H-pyrimidine is CC(C)[C@@H]1CN(C(=O)c2cnc[nH]c2=O)C[C@H]1NS(=O)(=O)N(C)C.
What is the InChIKey of 5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-6-oxo-1H-pyrimidine?
The InChIKey is QONSRXMPLQGBPQ-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H23N5O4S/c1-9(2)11-6-19(7-12(11)17-24(22,23)18(3)4)14(21)10-5-15-8-16-13(10)20/h5,8-9,11-12,17H,6-7H2,1-4H3,(H,15,16,20)/t11-,12+/m0/s1.
What are the key properties of 5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-6-oxo-1H-pyrimidine?
5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-6-oxo-1H-pyrimidine has a molecular weight of 357.44 g/mol, XLogP of -0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-6-oxo-1H-pyrimidine is sourced from PubChem (CID 72922486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).