2-[(3S,4R)-3-cyclopropyl-4-[(1-propylpyrazol-4-yl)sulfonylamino]pyrrolidin-1-yl]acetamide

C15H25N5O3S — CID 72940236

IUPAC2-[(3S,4R)-3-cyclopropyl-4-[(1-propylpyrazol-4-yl)sulfonylamino]pyrrolidin-1-yl]acetamide
SMILESCCCn1cc(S(=O)(=O)N[C@H]2CN(CC(N)=O)C[C@@H]2C2CC2)cn1
InChIInChI=1S/C15H25N5O3S/c1-2-5-20-7-12(6-17-20)24(22,23)18-14-9-19(10-15(16)21)8-13(14)11-3-4-11/h6-7,11,13-14,18H,2-5,8-10H2,1H3,(H2,16,21)/t13-,14+/m1/s1
InChIKeyAPYWSZFTIKXANW-KGLIPLIRSA-N
MW355.46 g/mol
LogP-0.23
Rot. Bonds8

About 2-[(3S,4R)-3-cyclopropyl-4-[(1-propylpyrazol-4-yl)sulfonylamino]pyrrolidin-1-yl]acetamide

2-[(3S,4R)-3-cyclopropyl-4-[(1-propylpyrazol-4-yl)sulfonylamino]pyrrolidin-1-yl]acetamide (PubChem CID 72940236) has the molecular formula C15H25N5O3S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[(3S,4R)-3-cyclopropyl-4-[(1-propylpyrazol-4-yl)sulfonylamino]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3S,4R)-3-cyclopropyl-4-[(1-propylpyrazol-4-yl)sulfonylamino]pyrrolidin-1-yl]acetamide
PubChem CID72940236
Molecular FormulaC15H25N5O3S
Molecular Weight355.46 g/mol
Exact Mass355.17
IUPAC Name2-[(3S,4R)-3-cyclopropyl-4-[(1-propylpyrazol-4-yl)sulfonylamino]pyrrolidin-1-yl]acetamide
SMILESCCCn1cc(S(=O)(=O)N[C@H]2CN(CC(N)=O)C[C@@H]2C2CC2)cn1
InChIInChI=1S/C15H25N5O3S/c1-2-5-20-7-12(6-17-20)24(22,23)18-14-9-19(10-15(16)21)8-13(14)11-3-4-11/h6-7,11,13-14,18H,2-5,8-10H2,1H3,(H2,16,21)/t13-,14+/m1/s1
InChIKeyAPYWSZFTIKXANW-KGLIPLIRSA-N
XLogP-0.23
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(3S,4R)-3-cyclopropyl-4-[(1-propylpyrazol-4-yl)sulfonylamino]pyrrolidin-1-yl]acetamide with MolForge

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Related Compounds

(3R*,4S*)-4-propyl-1-[(1-propyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine
CID 72874326
N-[(3R*,4S*)-1-acetyl-4-cyclopropyl-3-pyrrolidinyl]-1-propyl-1H-pyrazole-4-sulfonamide
CID 72851250
2-(4-methyl-1H-pyrazol-1-yl)-N-{rel-(3R,4S)-1-[2-(methylsulfonyl)ethyl]-4-propyl-3-pyrrolidinyl}acetamide hydrochloride
CID 72899125
(3R*,4S*)-4-cyclopropyl-1-[(1-propyl-1H-pyrazol-4-yl)sulfonyl]-3-pyrrolidinamine
CID 72903968
N-[rel-(3R,4S)-4-cyclopropyl-1-(2-hydroxyethyl)-3-pyrrolidinyl]-1-propyl-1H-pyrazole-4-sulfonamide hydrochloride
CID 72938109
N-[[(3S,4R)-3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]acetamide
CID 91920924
N-cyclohexyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide
CID 40150216
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 51080618
N-(1,4-dimethylpyrrolidin-3-yl)-1-ethylpyrazole-4-sulfonamide
CID 71927258
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethylpyrazole-4-sulfonamide
CID 71997776
N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide
CID 99817441
N-[(3S)-4,4-dimethyl-2-oxopyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide
CID 164637064

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-cyclopropyl-4-[(1-propylpyrazol-4-yl)sulfonylamino]pyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[(3S,4R)-3-cyclopropyl-4-[(1-propylpyrazol-4-yl)sulfonylamino]pyrrolidin-1-yl]acetamide (CID 72940236) is 2-[(3S,4R)-3-cyclopropyl-4-[(1-propylpyrazol-4-yl)sulfonylamino]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[(3S,4R)-3-cyclopropyl-4-[(1-propylpyrazol-4-yl)sulfonylamino]pyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[(3S,4R)-3-cyclopropyl-4-[(1-propylpyrazol-4-yl)sulfonylamino]pyrrolidin-1-yl]acetamide is CCCn1cc(S(=O)(=O)N[C@H]2CN(CC(N)=O)C[C@@H]2C2CC2)cn1.
What is the InChIKey of 2-[(3S,4R)-3-cyclopropyl-4-[(1-propylpyrazol-4-yl)sulfonylamino]pyrrolidin-1-yl]acetamide?
The InChIKey is APYWSZFTIKXANW-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H25N5O3S/c1-2-5-20-7-12(6-17-20)24(22,23)18-14-9-19(10-15(16)21)8-13(14)11-3-4-11/h6-7,11,13-14,18H,2-5,8-10H2,1H3,(H2,16,21)/t13-,14+/m1/s1.
What are the key properties of 2-[(3S,4R)-3-cyclopropyl-4-[(1-propylpyrazol-4-yl)sulfonylamino]pyrrolidin-1-yl]acetamide?
2-[(3S,4R)-3-cyclopropyl-4-[(1-propylpyrazol-4-yl)sulfonylamino]pyrrolidin-1-yl]acetamide has a molecular weight of 355.46 g/mol, XLogP of -0.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-cyclopropyl-4-[(1-propylpyrazol-4-yl)sulfonylamino]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 72940236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).