1-[[(2S)-3-methyl-2-sulfanylbutanoyl]amino]-N-(1H-pyrazol-4-yl)cyclopentane-1-carboxamide

C14H22N4O2S — CID 87240806

IUPAC1-[[(2S)-3-methyl-2-sulfanylbutanoyl]amino]-N-(1H-pyrazol-4-yl)cyclopentane-1-carboxamide
SMILESCC(C)[C@H](S)C(=O)NC1(C(=O)Nc2cn[nH]c2)CCCC1
InChIInChI=1S/C14H22N4O2S/c1-9(2)11(21)12(19)18-14(5-3-4-6-14)13(20)17-10-7-15-16-8-10/h7-9,11,21H,3-6H2,1-2H3,(H,15,16)(H,17,20)(H,18,19)/t11-/m0/s1
InChIKeyHCNMFNZWXFUYIB-NSHDSACASA-N
MW310.42 g/mol
LogP1.73
Rot. Bonds5

About 1-[[(2S)-3-methyl-2-sulfanylbutanoyl]amino]-N-(1H-pyrazol-4-yl)cyclopentane-1-carboxamide

1-[[(2S)-3-methyl-2-sulfanylbutanoyl]amino]-N-(1H-pyrazol-4-yl)cyclopentane-1-carboxamide (PubChem CID 87240806) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-[[(2S)-3-methyl-2-sulfanylbutanoyl]amino]-N-(1H-pyrazol-4-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[(2S)-3-methyl-2-sulfanylbutanoyl]amino]-N-(1H-pyrazol-4-yl)cyclopentane-1-carboxamide
PubChem CID87240806
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name1-[[(2S)-3-methyl-2-sulfanylbutanoyl]amino]-N-(1H-pyrazol-4-yl)cyclopentane-1-carboxamide
SMILESCC(C)[C@H](S)C(=O)NC1(C(=O)Nc2cn[nH]c2)CCCC1
InChIInChI=1S/C14H22N4O2S/c1-9(2)11(21)12(19)18-14(5-3-4-6-14)13(20)17-10-7-15-16-8-10/h7-9,11,21H,3-6H2,1-2H3,(H,15,16)(H,17,20)(H,18,19)/t11-/m0/s1
InChIKeyHCNMFNZWXFUYIB-NSHDSACASA-N
XLogP1.73
TPSA86.88 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentyl-N-(1H-pyrazol-4-yl)propanamide
CID 43429462
N-(1H-pyrazol-4-yl)cyclopentanecarboxamide
CID 20784950
2-methyl-N-(1H-pyrazol-4-yl)pentanamide
CID 43430720
4-methyl-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide
CID 79005573
N-(1-ethylpyrazol-4-yl)-1-[[(2S)-3-methyl-2-sulfanylbutanoyl]amino]cyclopentane-1-carboxamide
CID 87240993
2-butyl-N-(1H-pyrazol-4-yl)hexanamide
CID 139359464
2-butyl-N-(1H-pyrazol-4-yl)octanamide
CID 139365172
2-methyl-N-(1H-pyrazol-4-yl)hexanamide
CID 142236469
2-cyclopentyl-N-(1H-pyrazol-4-yl)propanamide
CID 171424579
N-[3-oxo-3-(1H-pyrazol-4-ylamino)propyl]cyclopentanecarboxamide
CID 38016196
4-methyl-N-(1H-pyrazol-4-yl)pentanamide
CID 43429753
2-(carbamoylamino)-4-methyl-N-(1H-pyrazol-4-yl)pentanamide
CID 43430108

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-3-methyl-2-sulfanylbutanoyl]amino]-N-(1H-pyrazol-4-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-[[(2S)-3-methyl-2-sulfanylbutanoyl]amino]-N-(1H-pyrazol-4-yl)cyclopentane-1-carboxamide (CID 87240806) is 1-[[(2S)-3-methyl-2-sulfanylbutanoyl]amino]-N-(1H-pyrazol-4-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[(2S)-3-methyl-2-sulfanylbutanoyl]amino]-N-(1H-pyrazol-4-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-[[(2S)-3-methyl-2-sulfanylbutanoyl]amino]-N-(1H-pyrazol-4-yl)cyclopentane-1-carboxamide is CC(C)[C@H](S)C(=O)NC1(C(=O)Nc2cn[nH]c2)CCCC1.
What is the InChIKey of 1-[[(2S)-3-methyl-2-sulfanylbutanoyl]amino]-N-(1H-pyrazol-4-yl)cyclopentane-1-carboxamide?
The InChIKey is HCNMFNZWXFUYIB-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-9(2)11(21)12(19)18-14(5-3-4-6-14)13(20)17-10-7-15-16-8-10/h7-9,11,21H,3-6H2,1-2H3,(H,15,16)(H,17,20)(H,18,19)/t11-/m0/s1.
What are the key properties of 1-[[(2S)-3-methyl-2-sulfanylbutanoyl]amino]-N-(1H-pyrazol-4-yl)cyclopentane-1-carboxamide?
1-[[(2S)-3-methyl-2-sulfanylbutanoyl]amino]-N-(1H-pyrazol-4-yl)cyclopentane-1-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.73, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-3-methyl-2-sulfanylbutanoyl]amino]-N-(1H-pyrazol-4-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 87240806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).