N-[1-[(2-cyanocyclohexyl)amino]-2-methylpropan-2-yl]methanesulfonamide

C12H23N3O2S — CID 63859503

IUPACN-[1-[(2-cyanocyclohexyl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNC1CCCCC1C#N)NS(C)(=O)=O
InChIInChI=1S/C12H23N3O2S/c1-12(2,15-18(3,16)17)9-14-11-7-5-4-6-10(11)8-13/h10-11,14-15H,4-7,9H2,1-3H3
InChIKeyRVDSSYAVTHQKPZ-UHFFFAOYSA-N
MW273.40 g/mol
LogP0.99
Rot. Bonds5

About N-[1-[(2-cyanocyclohexyl)amino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[(2-cyanocyclohexyl)amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 63859503) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[1-[(2-cyanocyclohexyl)amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-cyanocyclohexyl)amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID63859503
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC NameN-[1-[(2-cyanocyclohexyl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNC1CCCCC1C#N)NS(C)(=O)=O
InChIInChI=1S/C12H23N3O2S/c1-12(2,15-18(3,16)17)9-14-11-7-5-4-6-10(11)8-13/h10-11,14-15H,4-7,9H2,1-3H3
InChIKeyRVDSSYAVTHQKPZ-UHFFFAOYSA-N
XLogP0.99
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-1-[(2-methylcyclohexyl)amino]propan-2-yl]methanesulfonamide
CID 63860145
N-[1-[(2-hydroxycycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859680
2-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile
CID 62742040
2-[(2-ethoxy-2-methylpropyl)amino]cyclopentane-1-carbonitrile
CID 114941959
N-[2-methyl-1-(spiro[4.5]decan-8-ylamino)propan-2-yl]methanesulfonamide
CID 114817668
2-(cyclopropylmethylamino)cyclohexane-1-carbonitrile
CID 62742568
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-(2-methylpropylamino)cyclopentane-1-carbonitrile
CID 62742196
N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 65088547
2-[(2-cyanocyclohexyl)amino]acetamide
CID 62741855
ethyl 3-[(2-cyanocyclohexyl)amino]propanoate
CID 62742982

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-cyanocyclohexyl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(2-cyanocyclohexyl)amino]-2-methylpropan-2-yl]methanesulfonamide (CID 63859503) is N-[1-[(2-cyanocyclohexyl)amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(2-cyanocyclohexyl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(2-cyanocyclohexyl)amino]-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNC1CCCCC1C#N)NS(C)(=O)=O.
What is the InChIKey of N-[1-[(2-cyanocyclohexyl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is RVDSSYAVTHQKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-12(2,15-18(3,16)17)9-14-11-7-5-4-6-10(11)8-13/h10-11,14-15H,4-7,9H2,1-3H3.
What are the key properties of N-[1-[(2-cyanocyclohexyl)amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(2-cyanocyclohexyl)amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 273.40 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-cyanocyclohexyl)amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 63859503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).