N-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonamide

C12H25NO3S — CID 21439263

IUPACN-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonamide
SMILESCC1CCC(C(C)C)C(S(=O)(=O)NCCO)C1
InChIInChI=1S/C12H25NO3S/c1-9(2)11-5-4-10(3)8-12(11)17(15,16)13-6-7-14/h9-14H,4-8H2,1-3H3
InChIKeyNXAUOECBCZGXET-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.36
Rot. Bonds5

About N-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonamide

N-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonamide (PubChem CID 21439263) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonamide
PubChem CID21439263
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonamide
SMILESCC1CCC(C(C)C)C(S(=O)(=O)NCCO)C1
InChIInChI=1S/C12H25NO3S/c1-9(2)11-5-4-10(3)8-12(11)17(15,16)13-6-7-14/h9-14H,4-8H2,1-3H3
InChIKeyNXAUOECBCZGXET-UHFFFAOYSA-N
XLogP1.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide
CID 21439257
N,N-bis(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonamide
CID 21613207
4-dodecyl-N-(2-hydroxyethyl)cyclohexane-1-sulfonamide;hydrofluoride
CID 70217220
N-(2-hydroxyethyl)-2-methylcyclohexane-1-sulfonamide;hydrofluoride
CID 70218510
N-(3-hydroxypropyl)-4-propan-2-ylcyclohexane-1-sulfonamide
CID 170667026
1-cyclohexyl-N-(2-hydroxyethyl)methanesulfonamide
CID 61453744
1-cyclohexyl-N-(1-hydroxypropan-2-yl)methanesulfonamide
CID 61453745
1-cyclohexyl-N-(2-hydroxypropyl)methanesulfonamide
CID 61453746
1-cyclohexyl-N-[(2R)-1-hydroxypropan-2-yl]methanesulfonamide
CID 64722343
4-dodecyl-N-(2-hydroxyethyl)cyclohexane-1-sulfonamide
CID 70217221
N-(2-hydroxyethyl)-2-methylcyclohexane-1-sulfonamide
CID 70218511
1-cyclohexyl-N-[(2S)-1-hydroxypropan-2-yl]methanesulfonamide
CID 79023687

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonamide (CID 21439263) is N-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonamide is CC1CCC(C(C)C)C(S(=O)(=O)NCCO)C1.
What is the InChIKey of N-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonamide?
The InChIKey is NXAUOECBCZGXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-9(2)11-5-4-10(3)8-12(11)17(15,16)13-6-7-14/h9-14H,4-8H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonamide?
N-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonamide has a molecular weight of 263.40 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonamide is sourced from PubChem (CID 21439263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).