N-methyl-N-[4-(methylamino)cyclohexyl]propane-2-sulfonamide

C11H24N2O2S — CID 79122491

IUPACN-methyl-N-[4-(methylamino)cyclohexyl]propane-2-sulfonamide
SMILESCNC1CCC(N(C)S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C11H24N2O2S/c1-9(2)16(14,15)13(4)11-7-5-10(12-3)6-8-11/h9-12H,5-8H2,1-4H3
InChIKeyYTSSXHQJNOWWSM-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.19
Rot. Bonds4

About N-methyl-N-[4-(methylamino)cyclohexyl]propane-2-sulfonamide

N-methyl-N-[4-(methylamino)cyclohexyl]propane-2-sulfonamide (PubChem CID 79122491) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-methyl-N-[4-(methylamino)cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-(methylamino)cyclohexyl]propane-2-sulfonamide
PubChem CID79122491
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-methyl-N-[4-(methylamino)cyclohexyl]propane-2-sulfonamide
SMILESCNC1CCC(N(C)S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C11H24N2O2S/c1-9(2)16(14,15)13(4)11-7-5-10(12-3)6-8-11/h9-12H,5-8H2,1-4H3
InChIKeyYTSSXHQJNOWWSM-UHFFFAOYSA-N
XLogP1.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(methylamino)cyclohexyl]propane-2-sulfonamide?
The IUPAC name of N-methyl-N-[4-(methylamino)cyclohexyl]propane-2-sulfonamide (CID 79122491) is N-methyl-N-[4-(methylamino)cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[4-(methylamino)cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for N-methyl-N-[4-(methylamino)cyclohexyl]propane-2-sulfonamide is CNC1CCC(N(C)S(=O)(=O)C(C)C)CC1.
What is the InChIKey of N-methyl-N-[4-(methylamino)cyclohexyl]propane-2-sulfonamide?
The InChIKey is YTSSXHQJNOWWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-9(2)16(14,15)13(4)11-7-5-10(12-3)6-8-11/h9-12H,5-8H2,1-4H3.
What are the key properties of N-methyl-N-[4-(methylamino)cyclohexyl]propane-2-sulfonamide?
N-methyl-N-[4-(methylamino)cyclohexyl]propane-2-sulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(methylamino)cyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 79122491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).