1-(3-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide

C15H30N2O2S — CID 140917647

IUPAC1-(3-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide
SMILESCC1CCCC(CS(=O)(=O)NCC2CCN(C)CC2)C1
InChIInChI=1S/C15H30N2O2S/c1-13-4-3-5-15(10-13)12-20(18,19)16-11-14-6-8-17(2)9-7-14/h13-16H,3-12H2,1-2H3
InChIKeyYITNGKKXKMSUJC-UHFFFAOYSA-N
MW302.48 g/mol
LogP2.07
Rot. Bonds5

About 1-(3-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide

1-(3-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide (PubChem CID 140917647) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide
PubChem CID140917647
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name1-(3-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide
SMILESCC1CCCC(CS(=O)(=O)NCC2CCN(C)CC2)C1
InChIInChI=1S/C15H30N2O2S/c1-13-4-3-5-15(10-13)12-20(18,19)16-11-14-6-8-17(2)9-7-14/h13-16H,3-12H2,1-2H3
InChIKeyYITNGKKXKMSUJC-UHFFFAOYSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[[(1S,3R)-3-methylcyclohexyl]methyl]-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 95572797
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
N-[(3-methylcyclohexyl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106090843
1-amino-N-[(3-methylcyclohexyl)methyl]butane-2-sulfonamide
CID 114130293
3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887449
N-[(3-chlorocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide
CID 114148320
1-chloro-N-[(1-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 63666439
N-(cyclohexylmethyl)ethanesulfonamide
CID 6466313
1-(3-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide
CID 138009395
1-cyclobutyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine
CID 115717537
4-(aminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-sulfonamide
CID 106052859
5-(hydroxymethyl)-1-methyl-N-[(3-methylcyclohexyl)methyl]pyrrole-3-sulfonamide
CID 106001030

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(3-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide (CID 140917647) is 1-(3-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(3-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(3-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide is CC1CCCC(CS(=O)(=O)NCC2CCN(C)CC2)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide?
The InChIKey is YITNGKKXKMSUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-13-4-3-5-15(10-13)12-20(18,19)16-11-14-6-8-17(2)9-7-14/h13-16H,3-12H2,1-2H3.
What are the key properties of 1-(3-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide?
1-(3-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide has a molecular weight of 302.48 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 140917647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).