N-[(3-hydroxycyclohexyl)methyl]oxane-4-sulfonamide

C12H23NO4S — CID 103835779

IUPACN-[(3-hydroxycyclohexyl)methyl]oxane-4-sulfonamide
SMILESO=S(=O)(NCC1CCCC(O)C1)C1CCOCC1
InChIInChI=1S/C12H23NO4S/c14-11-3-1-2-10(8-11)9-13-18(15,16)12-4-6-17-7-5-12/h10-14H,1-9H2
InChIKeyFCZMTMIKOZABOW-UHFFFAOYSA-N
MW277.39 g/mol
LogP0.64
Rot. Bonds4

About N-[(3-hydroxycyclohexyl)methyl]oxane-4-sulfonamide

N-[(3-hydroxycyclohexyl)methyl]oxane-4-sulfonamide (PubChem CID 103835779) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]oxane-4-sulfonamide
PubChem CID103835779
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]oxane-4-sulfonamide
SMILESO=S(=O)(NCC1CCCC(O)C1)C1CCOCC1
InChIInChI=1S/C12H23NO4S/c14-11-3-1-2-10(8-11)9-13-18(15,16)12-4-6-17-7-5-12/h10-14H,1-9H2
InChIKeyFCZMTMIKOZABOW-UHFFFAOYSA-N
XLogP0.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxycyclopentyl)methyl]cyclopentanesulfonamide
CID 103270191
N-[(4-chlorocyclohexyl)methyl]oxane-4-sulfonamide
CID 114148389
N-[(3-hydroxycyclopentyl)methyl]-1,1-dioxothiane-4-sulfonamide
CID 103270277
N-[(3-hydroxycyclohexyl)methyl]propane-1-sulfonamide
CID 103697688
N-[(3-hydroxycyclohexyl)methyl]prop-2-ene-1-sulfonamide
CID 106126398
1-[(dipropylsulfamoylamino)methyl]-3-hydroxycyclohexane
CID 103835757
N-[(3-hydroxycyclohexyl)methyl]-1,4-dioxane-2-carboxamide
CID 113241320
3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103835805
N-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 106126424
1-(4-aminophenyl)-N-[(3-hydroxycyclohexyl)methyl]methanesulfonamide
CID 106119368
ethyl 2-[(3-hydroxycyclohexyl)methylsulfamoyl]acetate
CID 113318541
N-(2-hydroxypropyl)oxane-4-sulfonamide
CID 62050306

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]oxane-4-sulfonamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]oxane-4-sulfonamide (CID 103835779) is N-[(3-hydroxycyclohexyl)methyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]oxane-4-sulfonamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]oxane-4-sulfonamide is O=S(=O)(NCC1CCCC(O)C1)C1CCOCC1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]oxane-4-sulfonamide?
The InChIKey is FCZMTMIKOZABOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c14-11-3-1-2-10(8-11)9-13-18(15,16)12-4-6-17-7-5-12/h10-14H,1-9H2.
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]oxane-4-sulfonamide?
N-[(3-hydroxycyclohexyl)methyl]oxane-4-sulfonamide has a molecular weight of 277.39 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]oxane-4-sulfonamide is sourced from PubChem (CID 103835779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).