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

C12H26N2O3S — CID 63859680

IUPACN-[1-[(2-hydroxycycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNC1CCCCCC1O)NS(C)(=O)=O
InChIInChI=1S/C12H26N2O3S/c1-12(2,14-18(3,16)17)9-13-10-7-5-4-6-8-11(10)15/h10-11,13-15H,4-9H2,1-3H3
InChIKeyOGPTYHOWLSRGGN-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.60
Rot. Bonds5

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

N-[1-[(2-hydroxycycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 63859680) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[1-[(2-hydroxycycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-hydroxycycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID63859680
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-[1-[(2-hydroxycycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNC1CCCCCC1O)NS(C)(=O)=O
InChIInChI=1S/C12H26N2O3S/c1-12(2,14-18(3,16)17)9-13-10-7-5-4-6-8-11(10)15/h10-11,13-15H,4-9H2,1-3H3
InChIKeyOGPTYHOWLSRGGN-UHFFFAOYSA-N
XLogP0.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.60
H-Bond Donors ≤ 53
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-cyanocyclohexyl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859503
2-(2,2-dimethylpropylamino)cyclopentan-1-ol
CID 61166650
trans-(1S,2S)-2-[(2-ethoxy-2-methylpropyl)amino]cyclohexan-1-ol
CID 102731780
trans-(1R,2R)-2-[(2-methyl-2-methylsulfanylpropyl)amino]cyclohexan-1-ol
CID 102731680
2-(3-methylsulfonylpropylamino)cycloheptan-1-ol
CID 61020871
2-[(2-ethyl-2-hydroxybutyl)amino]cyclohexan-1-ol
CID 65111156
N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 65088547
trans-(1S,2S)-2-(3-methylsulfonylpropylamino)cyclohexan-1-ol
CID 93451135
trans-(1R,2R)-2-[(2-hydroxy-2-methylpentyl)amino]cyclohexan-1-ol
CID 106293057
N-[2-methyl-1-(spiro[4.5]decan-8-ylamino)propan-2-yl]methanesulfonamide
CID 114817668
2-[(5-hydroxy-2,2-dimethylpentyl)amino]cyclohexan-1-ol
CID 106147285

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-hydroxycycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(2-hydroxycycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide (CID 63859680) is N-[1-[(2-hydroxycycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(2-hydroxycycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(2-hydroxycycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNC1CCCCCC1O)NS(C)(=O)=O.
What is the InChIKey of N-[1-[(2-hydroxycycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is OGPTYHOWLSRGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-12(2,14-18(3,16)17)9-13-10-7-5-4-6-8-11(10)15/h10-11,13-15H,4-9H2,1-3H3.
What are the key properties of N-[1-[(2-hydroxycycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(2-hydroxycycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-hydroxycycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 63859680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).