N-[(3-hydroxycyclohexyl)methyl]propane-1-sulfonamide

C10H21NO3S — CID 103697688

IUPACN-[(3-hydroxycyclohexyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1CCCC(O)C1
InChIInChI=1S/C10H21NO3S/c1-2-6-15(13,14)11-8-9-4-3-5-10(12)7-9/h9-12H,2-8H2,1H3
InChIKeyCCIAUTJRKUUCQI-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.87
Rot. Bonds5

About N-[(3-hydroxycyclohexyl)methyl]propane-1-sulfonamide

N-[(3-hydroxycyclohexyl)methyl]propane-1-sulfonamide (PubChem CID 103697688) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]propane-1-sulfonamide
PubChem CID103697688
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1CCCC(O)C1
InChIInChI=1S/C10H21NO3S/c1-2-6-15(13,14)11-8-9-4-3-5-10(12)7-9/h9-12H,2-8H2,1H3
InChIKeyCCIAUTJRKUUCQI-UHFFFAOYSA-N
XLogP0.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(dipropylsulfamoylamino)methyl]-3-hydroxycyclohexane
CID 103835757
ethyl 2-[(3-hydroxycyclohexyl)methylsulfamoyl]acetate
CID 113318541
N-[(3-hydroxycyclohexyl)methyl]prop-2-ene-1-sulfonamide
CID 106126398
1-(4-aminophenyl)-N-[(3-hydroxycyclohexyl)methyl]methanesulfonamide
CID 106119368
ethyl 3-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate
CID 103270353
N-(cyclobutylmethyl)-2-(propylamino)ethanesulfonamide
CID 103096884
N-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 106126424
N-[(3-hydroxycyclohexyl)methyl]oxane-4-sulfonamide
CID 103835779
3-[[(4-methylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 115654560
2-ethoxy-N-[(3-hydroxycyclobutyl)methyl]ethanesulfonamide
CID 66006743
N-[(3-aminocyclohexyl)methyl]-2-ethoxyethanesulfonamide
CID 114146871
3-[[(4-propylcycloheptyl)amino]methyl]cyclohexan-1-ol
CID 106124372

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]propane-1-sulfonamide (CID 103697688) is N-[(3-hydroxycyclohexyl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC1CCCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]propane-1-sulfonamide?
The InChIKey is CCIAUTJRKUUCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-2-6-15(13,14)11-8-9-4-3-5-10(12)7-9/h9-12H,2-8H2,1H3.
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]propane-1-sulfonamide?
N-[(3-hydroxycyclohexyl)methyl]propane-1-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 103697688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).