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

C12H25NO3S — CID 65121793

IUPACN-[(4-ethyl-1-hydroxycyclohexyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1(O)CCC(CC)CC1
InChIInChI=1S/C12H25NO3S/c1-3-9-17(15,16)13-10-12(14)7-5-11(4-2)6-8-12/h11,13-14H,3-10H2,1-2H3
InChIKeyKXIYDALIYKCSRV-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.65
Rot. Bonds6

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

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]propane-1-sulfonamide (PubChem CID 65121793) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]propane-1-sulfonamide
PubChem CID65121793
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1(O)CCC(CC)CC1
InChIInChI=1S/C12H25NO3S/c1-3-9-17(15,16)13-10-12(14)7-5-11(4-2)6-8-12/h11,13-14H,3-10H2,1-2H3
InChIKeyKXIYDALIYKCSRV-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutane-1-sulfonamide
CID 65121314
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79594392
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropane-1-sulfonamide
CID 65121362
N-[(1-hydroxy-4-methylcyclohexyl)methyl]butane-1-sulfonamide
CID 65121537
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropane-2-sulfonamide
CID 65121313
1-[(tert-butylsulfamoylamino)methyl]-4-ethylcyclohexan-1-ol
CID 114809575
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide
CID 65121840
4-ethyl-1-[[(4-ethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65116333
3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propane-1-sulfonamide
CID 65123213
4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65115478
4-ethyl-1-(ethylaminomethyl)cyclohexan-1-ol
CID 62773711
propan-2-yl N-[(4-ethyl-1-hydroxycyclohexyl)methylsulfamoyl]carbamate
CID 114464254

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]propane-1-sulfonamide (CID 65121793) is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC1(O)CCC(CC)CC1.
What is the InChIKey of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]propane-1-sulfonamide?
The InChIKey is KXIYDALIYKCSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-3-9-17(15,16)13-10-12(14)7-5-11(4-2)6-8-12/h11,13-14H,3-10H2,1-2H3.
What are the key properties of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]propane-1-sulfonamide?
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]propane-1-sulfonamide has a molecular weight of 263.40 g/mol, XLogP of 1.65, 6 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]propane-1-sulfonamide is sourced from PubChem (CID 65121793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).