[3-hydroxypropylsulfamoyl(methyl)amino]cyclohexane

C10H22N2O3S — CID 43501459

IUPAC[3-hydroxypropylsulfamoyl(methyl)amino]cyclohexane
SMILESCN(C1CCCCC1)S(=O)(=O)NCCCO
InChIInChI=1S/C10H22N2O3S/c1-12(10-6-3-2-4-7-10)16(14,15)11-8-5-9-13/h10-11,13H,2-9H2,1H3
InChIKeyYFBGMJGUTGOSJV-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.47
Rot. Bonds6

About [3-hydroxypropylsulfamoyl(methyl)amino]cyclohexane

[3-hydroxypropylsulfamoyl(methyl)amino]cyclohexane (PubChem CID 43501459) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is [3-hydroxypropylsulfamoyl(methyl)amino]cyclohexane.

Molecular Properties

Compound Name[3-hydroxypropylsulfamoyl(methyl)amino]cyclohexane
PubChem CID43501459
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name[3-hydroxypropylsulfamoyl(methyl)amino]cyclohexane
SMILESCN(C1CCCCC1)S(=O)(=O)NCCCO
InChIInChI=1S/C10H22N2O3S/c1-12(10-6-3-2-4-7-10)16(14,15)11-8-5-9-13/h10-11,13H,2-9H2,1H3
InChIKeyYFBGMJGUTGOSJV-UHFFFAOYSA-N
XLogP0.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [3-hydroxypropylsulfamoyl(methyl)amino]cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2,2-Difluoro-3-hydroxypropyl)sulfamoyl-methylamino]cyclohexane
CID 104858804
4-hydroxy-N-propan-2-ylpiperidine-1-sulfonamide
CID 115969734
N-cyclohexylsulfamate;2-hydroxyethyl(trimethyl)azanium
CID 155093777
1-[[Butyl(methyl)sulfamoyl]amino]-4-hydroxycyclohexane
CID 43427814
1-[3-Hydroxypropylsulfamoyl(methyl)amino]butane
CID 43501497
N-(3-hydroxypropyl)-2-methylpiperidine-1-sulfonamide
CID 43501570
[1-Hydroxybutan-2-ylsulfamoyl(methyl)amino]cyclohexane
CID 43501625
N-(1-hydroxybutan-2-yl)-2-methylpiperidine-1-sulfonamide
CID 43501760
[(1-Hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]cyclohexane
CID 43501811
[2-Hydroxyethylsulfamoyl(methyl)amino]cyclohexane
CID 43501976
N-(2-hydroxyethyl)-2-methylpiperidine-1-sulfonamide
CID 43502083
[1-Hydroxypropan-2-ylsulfamoyl(methyl)amino]cyclohexane
CID 43502138

Frequently Asked Questions

What is the IUPAC name of [3-hydroxypropylsulfamoyl(methyl)amino]cyclohexane?
The IUPAC name of [3-hydroxypropylsulfamoyl(methyl)amino]cyclohexane (CID 43501459) is [3-hydroxypropylsulfamoyl(methyl)amino]cyclohexane.
What is the SMILES notation for [3-hydroxypropylsulfamoyl(methyl)amino]cyclohexane?
The canonical SMILES for [3-hydroxypropylsulfamoyl(methyl)amino]cyclohexane is CN(C1CCCCC1)S(=O)(=O)NCCCO.
What is the InChIKey of [3-hydroxypropylsulfamoyl(methyl)amino]cyclohexane?
The InChIKey is YFBGMJGUTGOSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-12(10-6-3-2-4-7-10)16(14,15)11-8-5-9-13/h10-11,13H,2-9H2,1H3.
What are the key properties of [3-hydroxypropylsulfamoyl(methyl)amino]cyclohexane?
[3-hydroxypropylsulfamoyl(methyl)amino]cyclohexane has a molecular weight of 250.36 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxypropylsulfamoyl(methyl)amino]cyclohexane is sourced from PubChem (CID 43501459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).