N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide

C11H20N4O2S — CID 43598152

IUPACN-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC2(N)CCCCC2)cn1
InChIInChI=1S/C11H20N4O2S/c1-15-8-10(7-13-15)18(16,17)14-9-11(12)5-3-2-4-6-11/h7-8,14H,2-6,9,12H2,1H3
InChIKeyAJTRSFFLAASLJP-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.36
Rot. Bonds4

About N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide

N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 43598152) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide
PubChem CID43598152
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC2(N)CCCCC2)cn1
InChIInChI=1S/C11H20N4O2S/c1-15-8-10(7-13-15)18(16,17)14-9-11(12)5-3-2-4-6-11/h7-8,14H,2-6,9,12H2,1H3
InChIKeyAJTRSFFLAASLJP-UHFFFAOYSA-N
XLogP0.36
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide (CID 43598152) is N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCC2(N)CCCCC2)cn1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is AJTRSFFLAASLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-15-8-10(7-13-15)18(16,17)14-9-11(12)5-3-2-4-6-11/h7-8,14H,2-6,9,12H2,1H3.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide?
N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 43598152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).