N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide

C14H24N4O2S — CID 99817441

IUPACN-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N[C@H]2CCN(CC3CCCC3)C2)cn1
InChIInChI=1S/C14H24N4O2S/c1-17-11-14(8-15-17)21(19,20)16-13-6-7-18(10-13)9-12-4-2-3-5-12/h8,11-13,16H,2-7,9-10H2,1H3/t13-/m0/s1
InChIKeyMOJZBXKYJANWOU-ZDUSSCGKSA-N
MW312.44 g/mol
LogP0.96
Rot. Bonds5

About N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide

N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide (PubChem CID 99817441) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide
PubChem CID99817441
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N[C@H]2CCN(CC3CCCC3)C2)cn1
InChIInChI=1S/C14H24N4O2S/c1-17-11-14(8-15-17)21(19,20)16-13-6-7-18(10-13)9-12-4-2-3-5-12/h8,11-13,16H,2-7,9-10H2,1H3/t13-/m0/s1
InChIKeyMOJZBXKYJANWOU-ZDUSSCGKSA-N
XLogP0.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide
CID 56829180
N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide
CID 84596417
1-methyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride
CID 175713036
1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide
CID 47034943
cis-(1R,3S)-3-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321626
N-[1-(cyclohexylmethyl)piperidin-4-yl]-3,4-difluorobenzenesulfonamide
CID 51127509
1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazole-4-sulfonamide
CID 94081659
1-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
CID 106025089
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide
CID 99711424
N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,5-difluorobenzenesulfonamide
CID 126769864
N-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 115300352
1-ethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-sulfonamide
CID 56912861

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide (CID 99817441) is N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)N[C@H]2CCN(CC3CCCC3)C2)cn1.
What is the InChIKey of N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is MOJZBXKYJANWOU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-17-11-14(8-15-17)21(19,20)16-13-6-7-18(10-13)9-12-4-2-3-5-12/h8,11-13,16H,2-7,9-10H2,1H3/t13-/m0/s1.
What are the key properties of N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide?
N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 99817441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).