N-[(3S)-1-tert-butylpyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide

C11H20N4O2S — CID 164629647

IUPACN-[(3S)-1-tert-butylpyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide
SMILESCC(C)(C)N1CC[C@H](NS(=O)(=O)c2cn[nH]c2)C1
InChIInChI=1S/C11H20N4O2S/c1-11(2,3)15-5-4-9(8-15)14-18(16,17)10-6-12-13-7-10/h6-7,9,14H,4-5,8H2,1-3H3,(H,12,13)/t9-/m0/s1
InChIKeyLIWVNAADEOKMJZ-VIFPVBQESA-N
MW272.37 g/mol
LogP0.56
Rot. Bonds3

About N-[(3S)-1-tert-butylpyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide

N-[(3S)-1-tert-butylpyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide (PubChem CID 164629647) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[(3S)-1-tert-butylpyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-tert-butylpyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide
PubChem CID164629647
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-[(3S)-1-tert-butylpyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide
SMILESCC(C)(C)N1CC[C@H](NS(=O)(=O)c2cn[nH]c2)C1
InChIInChI=1S/C11H20N4O2S/c1-11(2,3)15-5-4-9(8-15)14-18(16,17)10-6-12-13-7-10/h6-7,9,14H,4-5,8H2,1-3H3,(H,12,13)/t9-/m0/s1
InChIKeyLIWVNAADEOKMJZ-VIFPVBQESA-N
XLogP0.56
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(2-pyrrolidin-1-ylbutyl)pyrazole-4-sulfonamide
CID 45822387
N-(1,4-dimethylpyrrolidin-3-yl)-1-ethylpyrazole-4-sulfonamide
CID 71927258
N-({1-[ethyl(methyl)amino]cyclohexyl}methyl)-1H-pyrazole-4-sulfonamide
CID 131950420
N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 129613964
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide
CID 61275236
4-(pyrrolidine-1-sulfonyl)-1H-pyrazole
CID 60911160
1-methyl-N'-[(3S)-1-methylpyrrolidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride
CID 175713006
1-methyl-N'-[(3R)-1-methylpyrrolidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride
CID 176236825
1-methyl-N-(2-pyrrolidin-1-ylbutyl)pyrazole-4-sulfonamide;hydrochloride
CID 45822386
N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]methanesulfonamide
CID 47265884
N-pentan-2-yl-1H-pyrazole-4-sulfonamide
CID 47267276
N-cyclopropyl-N-ethyl-1H-pyrazole-4-sulfonamide
CID 47267289

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-tert-butylpyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(3S)-1-tert-butylpyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide (CID 164629647) is N-[(3S)-1-tert-butylpyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3S)-1-tert-butylpyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(3S)-1-tert-butylpyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide is CC(C)(C)N1CC[C@H](NS(=O)(=O)c2cn[nH]c2)C1.
What is the InChIKey of N-[(3S)-1-tert-butylpyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide?
The InChIKey is LIWVNAADEOKMJZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-11(2,3)15-5-4-9(8-15)14-18(16,17)10-6-12-13-7-10/h6-7,9,14H,4-5,8H2,1-3H3,(H,12,13)/t9-/m0/s1.
What are the key properties of N-[(3S)-1-tert-butylpyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide?
N-[(3S)-1-tert-butylpyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-tert-butylpyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 164629647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).