N-[2-methyl-1-[(2-methylcyclohexyl)amino]propan-2-yl]methanesulfonamide

C12H26N2O2S — CID 63860145

IUPACN-[2-methyl-1-[(2-methylcyclohexyl)amino]propan-2-yl]methanesulfonamide
SMILESCC1CCCCC1NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C12H26N2O2S/c1-10-7-5-6-8-11(10)13-9-12(2,3)14-17(4,15)16/h10-11,13-14H,5-9H2,1-4H3
InChIKeyVMCPTZXRHIDSMN-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.48
Rot. Bonds5

About N-[2-methyl-1-[(2-methylcyclohexyl)amino]propan-2-yl]methanesulfonamide

N-[2-methyl-1-[(2-methylcyclohexyl)amino]propan-2-yl]methanesulfonamide (PubChem CID 63860145) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[2-methyl-1-[(2-methylcyclohexyl)amino]propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-[(2-methylcyclohexyl)amino]propan-2-yl]methanesulfonamide
PubChem CID63860145
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-[2-methyl-1-[(2-methylcyclohexyl)amino]propan-2-yl]methanesulfonamide
SMILESCC1CCCCC1NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C12H26N2O2S/c1-10-7-5-6-8-11(10)13-9-12(2,3)14-17(4,15)16/h10-11,13-14H,5-9H2,1-4H3
InChIKeyVMCPTZXRHIDSMN-UHFFFAOYSA-N
XLogP1.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2-hydroxycycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859680
N-[1-[(2-cyanocyclohexyl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859503
N-[2-methyl-1-(spiro[4.5]decan-8-ylamino)propan-2-yl]methanesulfonamide
CID 114817668
N-[2-methyl-1-(thiolan-3-ylamino)propan-2-yl]methanesulfonamide
CID 63859971
N-[2-methyl-1-[(1-methylpiperidin-4-yl)amino]propan-2-yl]methanesulfonamide
CID 63859486
2-methyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine
CID 63278251
N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 65088547
2-methyl-1-[(2-methylcycloheptyl)amino]butan-2-ol
CID 114493275
N-[1-[(1-ethylpiperidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859970
N-[2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-yl]methanesulfonamide
CID 63859794
2,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol
CID 66178990
1-cyclopentyl-3-[2-(methanesulfonamido)-2-methylpropyl]-2-methylguanidine
CID 111779531

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[(2-methylcyclohexyl)amino]propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-[(2-methylcyclohexyl)amino]propan-2-yl]methanesulfonamide (CID 63860145) is N-[2-methyl-1-[(2-methylcyclohexyl)amino]propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-[(2-methylcyclohexyl)amino]propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-[(2-methylcyclohexyl)amino]propan-2-yl]methanesulfonamide is CC1CCCCC1NCC(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-1-[(2-methylcyclohexyl)amino]propan-2-yl]methanesulfonamide?
The InChIKey is VMCPTZXRHIDSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-10-7-5-6-8-11(10)13-9-12(2,3)14-17(4,15)16/h10-11,13-14H,5-9H2,1-4H3.
What are the key properties of N-[2-methyl-1-[(2-methylcyclohexyl)amino]propan-2-yl]methanesulfonamide?
N-[2-methyl-1-[(2-methylcyclohexyl)amino]propan-2-yl]methanesulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[(2-methylcyclohexyl)amino]propan-2-yl]methanesulfonamide is sourced from PubChem (CID 63860145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).