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

C16H26N4O4S — CID 72883563

IUPAC3-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine
SMILESCc1ccc(C(=O)N2C[C@@H](NS(=O)(=O)N(C)C)[C@H](C(C)C)C2)c(=O)[nH]1
InChIInChI=1S/C16H26N4O4S/c1-10(2)13-8-20(9-14(13)18-25(23,24)19(4)5)16(22)12-7-6-11(3)17-15(12)21/h6-7,10,13-14,18H,8-9H2,1-5H3,(H,17,21)/t13-,14+/m0/s1
InChIKeyBINNHCCLLCCXRF-UONOGXRCSA-N
MW370.48 g/mol
LogP0.18
Rot. Bonds5

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

3-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine (PubChem CID 72883563) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is 3-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine.

Molecular Properties

Compound Name3-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine
PubChem CID72883563
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC Name3-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine
SMILESCc1ccc(C(=O)N2C[C@@H](NS(=O)(=O)N(C)C)[C@H](C(C)C)C2)c(=O)[nH]1
InChIInChI=1S/C16H26N4O4S/c1-10(2)13-8-20(9-14(13)18-25(23,24)19(4)5)16(22)12-7-6-11(3)17-15(12)21/h6-7,10,13-14,18H,8-9H2,1-5H3,(H,17,21)/t13-,14+/m0/s1
InChIKeyBINNHCCLLCCXRF-UONOGXRCSA-N
XLogP0.18
TPSA102.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine?
The IUPAC name of 3-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine (CID 72883563) is 3-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine.
What is the SMILES notation for 3-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine?
The canonical SMILES for 3-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine is Cc1ccc(C(=O)N2C[C@@H](NS(=O)(=O)N(C)C)[C@H](C(C)C)C2)c(=O)[nH]1.
What is the InChIKey of 3-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine?
The InChIKey is BINNHCCLLCCXRF-UONOGXRCSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-10(2)13-8-20(9-14(13)18-25(23,24)19(4)5)16(22)12-7-6-11(3)17-15(12)21/h6-7,10,13-14,18H,8-9H2,1-5H3,(H,17,21)/t13-,14+/m0/s1.
What are the key properties of 3-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine?
3-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine has a molecular weight of 370.48 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine is sourced from PubChem (CID 72883563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).