[3-hydroxy-1-(sulfamoylamino)propyl]cyclohexane

C9H20N2O3S — CID 111383997

IUPAC[3-hydroxy-1-(sulfamoylamino)propyl]cyclohexane
SMILESNS(=O)(=O)NC(CCO)C1CCCCC1
InChIInChI=1S/C9H20N2O3S/c10-15(13,14)11-9(6-7-12)8-4-2-1-3-5-8/h8-9,11-12H,1-7H2,(H2,10,13,14)
InChIKeyOPDSLYOFZGBGOB-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.11
Rot. Bonds5

About [3-hydroxy-1-(sulfamoylamino)propyl]cyclohexane

[3-hydroxy-1-(sulfamoylamino)propyl]cyclohexane (PubChem CID 111383997) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is [3-hydroxy-1-(sulfamoylamino)propyl]cyclohexane.

Molecular Properties

Compound Name[3-hydroxy-1-(sulfamoylamino)propyl]cyclohexane
PubChem CID111383997
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name[3-hydroxy-1-(sulfamoylamino)propyl]cyclohexane
SMILESNS(=O)(=O)NC(CCO)C1CCCCC1
InChIInChI=1S/C9H20N2O3S/c10-15(13,14)11-9(6-7-12)8-4-2-1-3-5-8/h8-9,11-12H,1-7H2,(H2,10,13,14)
InChIKeyOPDSLYOFZGBGOB-UHFFFAOYSA-N
XLogP0.11
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-3-(cyclopropylamino)propan-1-ol
CID 83818925
[(1S)-1-(sulfamoylamino)ethyl]cyclohexane
CID 103935966
2-cyclohexyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide
CID 104985748
N-(2-amino-1-cyclohexylethyl)methanesulfonamide
CID 61122382
N-(2-amino-1-cyclohexylethyl)cyclopropanesulfonamide
CID 64553648
tert-butyl N-(1-cyclohexyl-3-hydroxypropyl)carbamate
CID 24729723
N-(2-amino-1-cyclohexylethyl)propane-1-sulfonamide
CID 61124953
1-(1-cyclohexyl-3-hydroxypropyl)-3-phenylurea
CID 111383992
N'-(1-cyclohexyl-3-hydroxypropyl)-N-prop-2-ynylpropanediamide
CID 110017570
N-(2-amino-1-cyclopentylethyl)ethanesulfonamide
CID 106737875
3-amino-N-(1-cycloheptyl-3-hydroxypropyl)-4-phenylbutanamide
CID 154868296
[(1R)-1-cyclohexyl-2-hydroxyethyl]carbamic acid
CID 90307661

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-1-(sulfamoylamino)propyl]cyclohexane?
The IUPAC name of [3-hydroxy-1-(sulfamoylamino)propyl]cyclohexane (CID 111383997) is [3-hydroxy-1-(sulfamoylamino)propyl]cyclohexane.
What is the SMILES notation for [3-hydroxy-1-(sulfamoylamino)propyl]cyclohexane?
The canonical SMILES for [3-hydroxy-1-(sulfamoylamino)propyl]cyclohexane is NS(=O)(=O)NC(CCO)C1CCCCC1.
What is the InChIKey of [3-hydroxy-1-(sulfamoylamino)propyl]cyclohexane?
The InChIKey is OPDSLYOFZGBGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c10-15(13,14)11-9(6-7-12)8-4-2-1-3-5-8/h8-9,11-12H,1-7H2,(H2,10,13,14).
What are the key properties of [3-hydroxy-1-(sulfamoylamino)propyl]cyclohexane?
[3-hydroxy-1-(sulfamoylamino)propyl]cyclohexane has a molecular weight of 236.34 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-1-(sulfamoylamino)propyl]cyclohexane is sourced from PubChem (CID 111383997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).