N-[(2-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide

C12H25NO4S — CID 79593790

IUPACN-[(2-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NCC1CCCCC1O
InChIInChI=1S/C12H25NO4S/c1-10(2)17-7-8-18(15,16)13-9-11-5-3-4-6-12(11)14/h10-14H,3-9H2,1-2H3
InChIKeyWIKOOHXOIKTGBE-UHFFFAOYSA-N
MW279.40 g/mol
LogP0.88
Rot. Bonds7

About N-[(2-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide

N-[(2-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide (PubChem CID 79593790) has the molecular formula C12H25NO4S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
PubChem CID79593790
Molecular FormulaC12H25NO4S
Molecular Weight279.40 g/mol
Exact Mass279.15
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NCC1CCCCC1O
InChIInChI=1S/C12H25NO4S/c1-10(2)17-7-8-18(15,16)13-9-11-5-3-4-6-12(11)14/h10-14H,3-9H2,1-2H3
InChIKeyWIKOOHXOIKTGBE-UHFFFAOYSA-N
XLogP0.88
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-hydroxycyclohexyl)methyl]-2-methoxyethanesulfonamide
CID 64913483
N-[(2-aminocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79600162
N-[(2-chlorocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79600521
N-[(2-hydroxycyclohexyl)methyl]-2-methylsulfonylethanesulfonamide
CID 64911395
N-(piperidin-2-ylmethyl)-2-propan-2-yloxyethanesulfonamide
CID 79593606
3-chloro-N-[(2-hydroxycyclohexyl)methyl]propane-1-sulfonamide
CID 64912535
3-[(2-hydroxycyclohexyl)methylsulfamoyl]propanoic acid
CID 64929072
4-chloro-N-[(2-hydroxycyclohexyl)methyl]butane-1-sulfonamide
CID 116816252
N-[(2-hydroxycyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 103697972
N-[(3-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 114146872
3-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylpropane-1-sulfonamide
CID 79588970
N-[[(4S)-1,3-dioxan-4-yl]methyl]-2-propan-2-yloxyethanesulfonamide
CID 97085411

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide (CID 79593790) is N-[(2-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)NCC1CCCCC1O.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide?
The InChIKey is WIKOOHXOIKTGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4S/c1-10(2)17-7-8-18(15,16)13-9-11-5-3-4-6-12(11)14/h10-14H,3-9H2,1-2H3.
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide?
N-[(2-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide has a molecular weight of 279.40 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 79593790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).