N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutane-1-sulfonamide

C14H29NO3S — CID 65121314

IUPACN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutane-1-sulfonamide
SMILESCCC1CCC(O)(CNS(=O)(=O)CCC(C)C)CC1
InChIInChI=1S/C14H29NO3S/c1-4-13-5-8-14(16,9-6-13)11-15-19(17,18)10-7-12(2)3/h12-13,15-16H,4-11H2,1-3H3
InChIKeyDKLAJJZZWGUHOZ-UHFFFAOYSA-N
MW291.46 g/mol
LogP2.28
Rot. Bonds7

About N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutane-1-sulfonamide

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutane-1-sulfonamide (PubChem CID 65121314) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutane-1-sulfonamide
PubChem CID65121314
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutane-1-sulfonamide
SMILESCCC1CCC(O)(CNS(=O)(=O)CCC(C)C)CC1
InChIInChI=1S/C14H29NO3S/c1-4-13-5-8-14(16,9-6-13)11-15-19(17,18)10-7-12(2)3/h12-13,15-16H,4-11H2,1-3H3
InChIKeyDKLAJJZZWGUHOZ-UHFFFAOYSA-N
XLogP2.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]propane-1-sulfonamide
CID 65121793
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropane-1-sulfonamide
CID 65121362
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79594392
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropane-2-sulfonamide
CID 65121313
N-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylbutane-1-sulfonamide
CID 63834732
1-[(tert-butylsulfamoylamino)methyl]-4-ethylcyclohexan-1-ol
CID 114809575
propan-2-yl N-[(4-ethyl-1-hydroxycyclohexyl)methylsulfamoyl]carbamate
CID 114464254
N-[(1-hydroxy-4-methylcyclohexyl)methyl]butane-1-sulfonamide
CID 65121537
4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65115478
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 65124264
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide
CID 65121840
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpropane-1-sulfonamide
CID 65121924

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutane-1-sulfonamide?
The IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutane-1-sulfonamide (CID 65121314) is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutane-1-sulfonamide is CCC1CCC(O)(CNS(=O)(=O)CCC(C)C)CC1.
What is the InChIKey of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutane-1-sulfonamide?
The InChIKey is DKLAJJZZWGUHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-4-13-5-8-14(16,9-6-13)11-15-19(17,18)10-7-12(2)3/h12-13,15-16H,4-11H2,1-3H3.
What are the key properties of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutane-1-sulfonamide?
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutane-1-sulfonamide has a molecular weight of 291.46 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 65121314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).