N-[1-(aminomethyl)cycloheptyl]-5-methyl-1H-pyrazole-4-sulfonamide

C12H22N4O2S — CID 54929898

IUPACN-[1-(aminomethyl)cycloheptyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1(CN)CCCCCC1
InChIInChI=1S/C12H22N4O2S/c1-10-11(8-14-15-10)19(17,18)16-12(9-13)6-4-2-3-5-7-12/h8,16H,2-7,9,13H2,1H3,(H,14,15)
InChIKeyAFANVUAPBZOYAX-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.05
Rot. Bonds4

About N-[1-(aminomethyl)cycloheptyl]-5-methyl-1H-pyrazole-4-sulfonamide

N-[1-(aminomethyl)cycloheptyl]-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 54929898) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[1-(aminomethyl)cycloheptyl]-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cycloheptyl]-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID54929898
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-[1-(aminomethyl)cycloheptyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1(CN)CCCCCC1
InChIInChI=1S/C12H22N4O2S/c1-10-11(8-14-15-10)19(17,18)16-12(9-13)6-4-2-3-5-7-12/h8,16H,2-7,9,13H2,1H3,(H,14,15)
InChIKeyAFANVUAPBZOYAX-UHFFFAOYSA-N
XLogP1.05
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cycloheptyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cycloheptyl]-5-methyl-1H-pyrazole-4-sulfonamide (CID 54929898) is N-[1-(aminomethyl)cycloheptyl]-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cycloheptyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cycloheptyl]-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NC1(CN)CCCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cycloheptyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is AFANVUAPBZOYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-10-11(8-14-15-10)19(17,18)16-12(9-13)6-4-2-3-5-7-12/h8,16H,2-7,9,13H2,1H3,(H,14,15).
What are the key properties of N-[1-(aminomethyl)cycloheptyl]-5-methyl-1H-pyrazole-4-sulfonamide?
N-[1-(aminomethyl)cycloheptyl]-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cycloheptyl]-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54929898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).