(1R,2R,4S)-4-amino-N-butyl-5-cyclohexyl-1,2-dihydroxypentane-1-sulfonamide

C15H32N2O4S — CID 54512345

IUPAC(1R,2R,4S)-4-amino-N-butyl-5-cyclohexyl-1,2-dihydroxypentane-1-sulfonamide
SMILESCCCCNS(=O)(=O)[C@@H](O)[C@H](O)C[C@@H](N)CC1CCCCC1
InChIInChI=1S/C15H32N2O4S/c1-2-3-9-17-22(20,21)15(19)14(18)11-13(16)10-12-7-5-4-6-8-12/h12-15,17-19H,2-11,16H2,1H3/t13-,14+,15+/m0/s1
InChIKeyYKAAEKYRIWEOAV-RRFJBIMHSA-N
MW336.50 g/mol
LogP1.07
Rot. Bonds10

About (1R,2R,4S)-4-amino-N-butyl-5-cyclohexyl-1,2-dihydroxypentane-1-sulfonamide

(1R,2R,4S)-4-amino-N-butyl-5-cyclohexyl-1,2-dihydroxypentane-1-sulfonamide (PubChem CID 54512345) has the molecular formula C15H32N2O4S and a molecular weight of 336.50 g/mol. Its IUPAC name is (1R,2R,4S)-4-amino-N-butyl-5-cyclohexyl-1,2-dihydroxypentane-1-sulfonamide.

Molecular Properties

Compound Name(1R,2R,4S)-4-amino-N-butyl-5-cyclohexyl-1,2-dihydroxypentane-1-sulfonamide
PubChem CID54512345
Molecular FormulaC15H32N2O4S
Molecular Weight336.50 g/mol
Exact Mass336.21
IUPAC Name(1R,2R,4S)-4-amino-N-butyl-5-cyclohexyl-1,2-dihydroxypentane-1-sulfonamide
SMILESCCCCNS(=O)(=O)[C@@H](O)[C@H](O)C[C@@H](N)CC1CCCCC1
InChIInChI=1S/C15H32N2O4S/c1-2-3-9-17-22(20,21)15(19)14(18)11-13(16)10-12-7-5-4-6-8-12/h12-15,17-19H,2-11,16H2,1H3/t13-,14+,15+/m0/s1
InChIKeyYKAAEKYRIWEOAV-RRFJBIMHSA-N
XLogP1.07
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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1-cyclopentyl-4-ethyloctan-2-amine
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3,4-diamino-N-[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]benzamide
CID 54170333
(2S)-1-cyclopentylbutan-2-amine
CID 58736664
N-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-sulfanylpentanamide
CID 88638536
(2S)-2-amino-1-cyclohexylheptane-3,4,5-triol
CID 67724480
(2S)-1-cyclohexyl-3-ethylsulfinylpropan-2-amine
CID 10536763
N-[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]pyridine-4-carboxamide
CID 54098125
1,3-dicyclopentylpropan-2-amine
CID 58122660
1-cyclopentyl-5-methylsulfonylpentan-2-amine
CID 115820782

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-4-amino-N-butyl-5-cyclohexyl-1,2-dihydroxypentane-1-sulfonamide?
The IUPAC name of (1R,2R,4S)-4-amino-N-butyl-5-cyclohexyl-1,2-dihydroxypentane-1-sulfonamide (CID 54512345) is (1R,2R,4S)-4-amino-N-butyl-5-cyclohexyl-1,2-dihydroxypentane-1-sulfonamide.
What is the SMILES notation for (1R,2R,4S)-4-amino-N-butyl-5-cyclohexyl-1,2-dihydroxypentane-1-sulfonamide?
The canonical SMILES for (1R,2R,4S)-4-amino-N-butyl-5-cyclohexyl-1,2-dihydroxypentane-1-sulfonamide is CCCCNS(=O)(=O)[C@@H](O)[C@H](O)C[C@@H](N)CC1CCCCC1.
What is the InChIKey of (1R,2R,4S)-4-amino-N-butyl-5-cyclohexyl-1,2-dihydroxypentane-1-sulfonamide?
The InChIKey is YKAAEKYRIWEOAV-RRFJBIMHSA-N. The full InChI is InChI=1S/C15H32N2O4S/c1-2-3-9-17-22(20,21)15(19)14(18)11-13(16)10-12-7-5-4-6-8-12/h12-15,17-19H,2-11,16H2,1H3/t13-,14+,15+/m0/s1.
What are the key properties of (1R,2R,4S)-4-amino-N-butyl-5-cyclohexyl-1,2-dihydroxypentane-1-sulfonamide?
(1R,2R,4S)-4-amino-N-butyl-5-cyclohexyl-1,2-dihydroxypentane-1-sulfonamide has a molecular weight of 336.50 g/mol, XLogP of 1.07, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-4-amino-N-butyl-5-cyclohexyl-1,2-dihydroxypentane-1-sulfonamide is sourced from PubChem (CID 54512345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).