N-methyl-N-(4-methylcyclohexyl)pyrrolidine-1-sulfonamide

C12H24N2O2S — CID 128925390

IUPACN-methyl-N-(4-methylcyclohexyl)pyrrolidine-1-sulfonamide
SMILESCC1CCC(N(C)S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C12H24N2O2S/c1-11-5-7-12(8-6-11)13(2)17(15,16)14-9-3-4-10-14/h11-12H,3-10H2,1-2H3
InChIKeyIRAAUCXVNPOYCE-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.84
Rot. Bonds3

About N-methyl-N-(4-methylcyclohexyl)pyrrolidine-1-sulfonamide

N-methyl-N-(4-methylcyclohexyl)pyrrolidine-1-sulfonamide (PubChem CID 128925390) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexyl)pyrrolidine-1-sulfonamide
PubChem CID128925390
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-methyl-N-(4-methylcyclohexyl)pyrrolidine-1-sulfonamide
SMILESCC1CCC(N(C)S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C12H24N2O2S/c1-11-5-7-12(8-6-11)13(2)17(15,16)14-9-3-4-10-14/h11-12H,3-10H2,1-2H3
InChIKeyIRAAUCXVNPOYCE-UHFFFAOYSA-N
XLogP1.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylcyclohexyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-methyl-N-(4-methylcyclohexyl)pyrrolidine-1-sulfonamide (CID 128925390) is N-methyl-N-(4-methylcyclohexyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-methyl-N-(4-methylcyclohexyl)pyrrolidine-1-sulfonamide is CC1CCC(N(C)S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of N-methyl-N-(4-methylcyclohexyl)pyrrolidine-1-sulfonamide?
The InChIKey is IRAAUCXVNPOYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-11-5-7-12(8-6-11)13(2)17(15,16)14-9-3-4-10-14/h11-12H,3-10H2,1-2H3.
What are the key properties of N-methyl-N-(4-methylcyclohexyl)pyrrolidine-1-sulfonamide?
N-methyl-N-(4-methylcyclohexyl)pyrrolidine-1-sulfonamide has a molecular weight of 260.40 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylcyclohexyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 128925390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).