(3S)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide

C15H25N5O3S — CID 126446748

IUPAC(3S)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
SMILESNS(=O)(=O)C[C@H]1CCN(C(=O)NCc2n[nH]c3c2CCCCC3)C1
InChIInChI=1S/C15H25N5O3S/c16-24(22,23)10-11-6-7-20(9-11)15(21)17-8-14-12-4-2-1-3-5-13(12)18-19-14/h11H,1-10H2,(H,17,21)(H,18,19)(H2,16,22,23)/t11-/m0/s1
InChIKeyJHNDBAWAFSAGLM-NSHDSACASA-N
MW355.46 g/mol
LogP0.50
Rot. Bonds4

About (3S)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide

(3S)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide (PubChem CID 126446748) has the molecular formula C15H25N5O3S and a molecular weight of 355.46 g/mol. Its IUPAC name is (3S)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
PubChem CID126446748
Molecular FormulaC15H25N5O3S
Molecular Weight355.46 g/mol
Exact Mass355.17
IUPAC Name(3S)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
SMILESNS(=O)(=O)C[C@H]1CCN(C(=O)NCc2n[nH]c3c2CCCCC3)C1
InChIInChI=1S/C15H25N5O3S/c16-24(22,23)10-11-6-7-20(9-11)15(21)17-8-14-12-4-2-1-3-5-13(12)18-19-14/h11H,1-10H2,(H,17,21)(H,18,19)(H2,16,22,23)/t11-/m0/s1
InChIKeyJHNDBAWAFSAGLM-NSHDSACASA-N
XLogP0.50
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3R)-N-[(4-fluorophenyl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 126425242
1-acetyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidine-3-carboxamide
CID 138036020
(3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 126437226
(3-aminopyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 112708550
[(3S)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide
CID 125161180
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 122556978
(3R)-1-(2-amino-2-oxoethyl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]piperidine-3-carboxamide
CID 95214360
(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-sulfonamide
CID 166315046
[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 72872300
[1-(1-cyclohexylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 138024559
1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 166623506
(3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 126436509

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide (CID 126446748) is (3S)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide is NS(=O)(=O)C[C@H]1CCN(C(=O)NCc2n[nH]c3c2CCCCC3)C1.
What is the InChIKey of (3S)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is JHNDBAWAFSAGLM-NSHDSACASA-N. The full InChI is InChI=1S/C15H25N5O3S/c16-24(22,23)10-11-6-7-20(9-11)15(21)17-8-14-12-4-2-1-3-5-13(12)18-19-14/h11H,1-10H2,(H,17,21)(H,18,19)(H2,16,22,23)/t11-/m0/s1.
What are the key properties of (3S)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide?
(3S)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126446748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).