3-methyl-1-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-ol

C12H26N2O3S — CID 114815697

IUPAC3-methyl-1-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-ol
SMILESCC(C)CNS(=O)(=O)NCC1(O)CCCC(C)C1
InChIInChI=1S/C12H26N2O3S/c1-10(2)8-13-18(16,17)14-9-12(15)6-4-5-11(3)7-12/h10-11,13-15H,4-9H2,1-3H3
InChIKeyIYAXABGIOPBUNG-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.01
Rot. Bonds6

About 3-methyl-1-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-ol

3-methyl-1-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-ol (PubChem CID 114815697) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 3-methyl-1-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-ol
PubChem CID114815697
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name3-methyl-1-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-ol
SMILESCC(C)CNS(=O)(=O)NCC1(O)CCCC(C)C1
InChIInChI=1S/C12H26N2O3S/c1-10(2)8-13-18(16,17)14-9-12(15)6-4-5-11(3)7-12/h10-11,13-15H,4-9H2,1-3H3
InChIKeyIYAXABGIOPBUNG-UHFFFAOYSA-N
XLogP1.01
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(ethylsulfamoylamino)methyl]-3-methylcyclohexan-1-ol
CID 115754155
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65119480
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylsulfonylpropanamide
CID 112695770
(3R)-3-methyl-1-(2-methylpropyl)cyclohexan-1-ol
CID 121406243
methyl 3-[(1-hydroxy-3-methylcyclohexyl)methylsulfamoyl]propanoate
CID 65121496
N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
CID 36689616
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
1-[(1-aminopropan-2-ylamino)methyl]-3-methylcyclohexan-1-ol
CID 103390168
2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanesulfonamide
CID 114385265
1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 65120782
4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 65121452
2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide
CID 65121838

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 3-methyl-1-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-ol (CID 114815697) is 3-methyl-1-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-methyl-1-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-methyl-1-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-ol is CC(C)CNS(=O)(=O)NCC1(O)CCCC(C)C1.
What is the InChIKey of 3-methyl-1-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-ol?
The InChIKey is IYAXABGIOPBUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-10(2)8-13-18(16,17)14-9-12(15)6-4-5-11(3)7-12/h10-11,13-15H,4-9H2,1-3H3.
What are the key properties of 3-methyl-1-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-ol?
3-methyl-1-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-ol has a molecular weight of 278.42 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 114815697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).