1-[(tert-butylsulfamoylamino)methyl]-4-ethylcyclohexan-1-ol

C13H28N2O3S — CID 114809575

IUPAC1-[(tert-butylsulfamoylamino)methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNS(=O)(=O)NC(C)(C)C)CC1
InChIInChI=1S/C13H28N2O3S/c1-5-11-6-8-13(16,9-7-11)10-14-19(17,18)15-12(2,3)4/h11,14-16H,5-10H2,1-4H3
InChIKeyVBLYBBLGFSHIQF-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.54
Rot. Bonds5

About 1-[(tert-butylsulfamoylamino)methyl]-4-ethylcyclohexan-1-ol

1-[(tert-butylsulfamoylamino)methyl]-4-ethylcyclohexan-1-ol (PubChem CID 114809575) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-[(tert-butylsulfamoylamino)methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(tert-butylsulfamoylamino)methyl]-4-ethylcyclohexan-1-ol
PubChem CID114809575
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC Name1-[(tert-butylsulfamoylamino)methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNS(=O)(=O)NC(C)(C)C)CC1
InChIInChI=1S/C13H28N2O3S/c1-5-11-6-8-13(16,9-7-11)10-14-19(17,18)15-12(2,3)4/h11,14-16H,5-10H2,1-4H3
InChIKeyVBLYBBLGFSHIQF-UHFFFAOYSA-N
XLogP1.54
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropane-2-sulfonamide
CID 65121313
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]propane-1-sulfonamide
CID 65121793
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropane-1-sulfonamide
CID 65121362
propan-2-yl N-[(4-ethyl-1-hydroxycyclohexyl)methylsulfamoyl]carbamate
CID 114464254
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutane-1-sulfonamide
CID 65121314
1-(tert-butylsulfamoylamino)-4-ethylcyclohexane-1-carbothioamide
CID 114808157
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide
CID 65121840
4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65115478
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79594392
4-ethyl-1-(ethylaminomethyl)cyclohexan-1-ol
CID 62773711
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 65121845
4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 65119728

Frequently Asked Questions

What is the IUPAC name of 1-[(tert-butylsulfamoylamino)methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[(tert-butylsulfamoylamino)methyl]-4-ethylcyclohexan-1-ol (CID 114809575) is 1-[(tert-butylsulfamoylamino)methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(tert-butylsulfamoylamino)methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[(tert-butylsulfamoylamino)methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)(CNS(=O)(=O)NC(C)(C)C)CC1.
What is the InChIKey of 1-[(tert-butylsulfamoylamino)methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is VBLYBBLGFSHIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-5-11-6-8-13(16,9-7-11)10-14-19(17,18)15-12(2,3)4/h11,14-16H,5-10H2,1-4H3.
What are the key properties of 1-[(tert-butylsulfamoylamino)methyl]-4-ethylcyclohexan-1-ol?
1-[(tert-butylsulfamoylamino)methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 292.44 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(tert-butylsulfamoylamino)methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 114809575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).