N-[2-(cycloheptylamino)ethyl]-2-methylpyrazole-3-sulfonamide

C13H24N4O2S — CID 104710326

IUPACN-[2-(cycloheptylamino)ethyl]-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NCCNC1CCCCCC1
InChIInChI=1S/C13H24N4O2S/c1-17-13(8-9-15-17)20(18,19)16-11-10-14-12-6-4-2-3-5-7-12/h8-9,12,14,16H,2-7,10-11H2,1H3
InChIKeyAVXDRJZXMSEWGZ-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.01
Rot. Bonds6

About N-[2-(cycloheptylamino)ethyl]-2-methylpyrazole-3-sulfonamide

N-[2-(cycloheptylamino)ethyl]-2-methylpyrazole-3-sulfonamide (PubChem CID 104710326) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-2-methylpyrazole-3-sulfonamide
PubChem CID104710326
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-[2-(cycloheptylamino)ethyl]-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NCCNC1CCCCCC1
InChIInChI=1S/C13H24N4O2S/c1-17-13(8-9-15-17)20(18,19)16-11-10-14-12-6-4-2-3-5-7-12/h8-9,12,14,16H,2-7,10-11H2,1H3
InChIKeyAVXDRJZXMSEWGZ-UHFFFAOYSA-N
XLogP1.01
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R*,4S*)-4-propyl-1-[(1-propyl-1H-pyrazol-5-yl)sulfonyl]pyrrolidin-3-amine
CID 72860493
N-(2,6-dimethylcyclohexyl)-2-methylpyrazole-3-sulfonamide
CID 121566443
1-[(1-propyl-1H-pyrazol-5-yl)sulfonyl]piperazine hydrochloride
CID 122571880
N-[(3S)-1-acetylpiperidin-3-yl]-2-propan-2-ylpyrazole-3-sulfonamide
CID 125442551
N-{[1-(dimethylamino)cyclohexyl]methyl}-1-propyl-1H-pyrazole-5-sulfonamide
CID 129608404
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-2-propan-2-ylpyrazole-3-sulfonamide
CID 129611920
1-isopropyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-sulfonamide
CID 129614634
1-ethyl-4-[(1-isopropyl-1H-pyrazol-5-yl)sulfonyl]-1,4-diazepane
CID 129623644
2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide
CID 104709473
2-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-3-sulfonamide
CID 104709848
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpyrazole-3-sulfonamide
CID 107493838
N-(2-aminoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide
CID 107493924

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-methylpyrazole-3-sulfonamide (CID 104710326) is N-[2-(cycloheptylamino)ethyl]-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-2-methylpyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)NCCNC1CCCCCC1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-2-methylpyrazole-3-sulfonamide?
The InChIKey is AVXDRJZXMSEWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-17-13(8-9-15-17)20(18,19)16-11-10-14-12-6-4-2-3-5-7-12/h8-9,12,14,16H,2-7,10-11H2,1H3.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-2-methylpyrazole-3-sulfonamide?
N-[2-(cycloheptylamino)ethyl]-2-methylpyrazole-3-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 104710326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).