(2R,3R,4S)-4-amino-6-cyclohexyl-1-propan-2-ylsulfonylhexane-2,3-diol

C15H31NO4S — CID 18632652

IUPAC(2R,3R,4S)-4-amino-6-cyclohexyl-1-propan-2-ylsulfonylhexane-2,3-diol
SMILESCC(C)S(=O)(=O)C[C@H](O)[C@H](O)[C@@H](N)CCC1CCCCC1
InChIInChI=1S/C15H31NO4S/c1-11(2)21(19,20)10-14(17)15(18)13(16)9-8-12-6-4-3-5-7-12/h11-15,17-18H,3-10,16H2,1-2H3/t13-,14-,15+/m0/s1
InChIKeyRMBCIMCUJBSBFX-SOUVJXGZSA-N
MW321.48 g/mol
LogP1.22
Rot. Bonds8

About (2R,3R,4S)-4-amino-6-cyclohexyl-1-propan-2-ylsulfonylhexane-2,3-diol

(2R,3R,4S)-4-amino-6-cyclohexyl-1-propan-2-ylsulfonylhexane-2,3-diol (PubChem CID 18632652) has the molecular formula C15H31NO4S and a molecular weight of 321.48 g/mol. Its IUPAC name is (2R,3R,4S)-4-amino-6-cyclohexyl-1-propan-2-ylsulfonylhexane-2,3-diol.

Molecular Properties

Compound Name(2R,3R,4S)-4-amino-6-cyclohexyl-1-propan-2-ylsulfonylhexane-2,3-diol
PubChem CID18632652
Molecular FormulaC15H31NO4S
Molecular Weight321.48 g/mol
Exact Mass321.20
IUPAC Name(2R,3R,4S)-4-amino-6-cyclohexyl-1-propan-2-ylsulfonylhexane-2,3-diol
SMILESCC(C)S(=O)(=O)C[C@H](O)[C@H](O)[C@@H](N)CCC1CCCCC1
InChIInChI=1S/C15H31NO4S/c1-11(2)21(19,20)10-14(17)15(18)13(16)9-8-12-6-4-3-5-7-12/h11-15,17-18H,3-10,16H2,1-2H3/t13-,14-,15+/m0/s1
InChIKeyRMBCIMCUJBSBFX-SOUVJXGZSA-N
XLogP1.22
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.48
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,3R,4S)-4-amino-6-cyclohexyl-1-propan-2-ylsulfonylhexane-2,3-diol with MolForge

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Related Compounds

4-cyclohexylbutane-2-sulfonic acid
CID 88555201
(2S,3R,4S)-2-amino-1-cyclohexyl-7-methyloctane-3,4-diol
CID 15042536
bis(2-methylpropyl) 2-(2-cyclohexylethyl)propanedioate
CID 118088621
1-cyclopentyl-2-propan-2-ylsulfonylethanamine
CID 104754148
(2S,3S)-2-amino-5-cyclohexyl-3-hydroxypentanoic acid
CID 157381240
(2R,3S,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol
CID 102069608
1-cyclohexyl-5-methylsulfonylpentan-3-amine
CID 115848165
2-(2-cyclopentylethyl)propanedioic acid
CID 23186368
1,5-dicyclohexylpentan-3-ol
CID 56981010
(2S,3R,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol;dihydrochloride
CID 18643833
(2S,3R,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol;hydrochloride
CID 18643834
1-cyclopentyl-4-methylhexan-3-ol
CID 115823411

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-4-amino-6-cyclohexyl-1-propan-2-ylsulfonylhexane-2,3-diol?
The IUPAC name of (2R,3R,4S)-4-amino-6-cyclohexyl-1-propan-2-ylsulfonylhexane-2,3-diol (CID 18632652) is (2R,3R,4S)-4-amino-6-cyclohexyl-1-propan-2-ylsulfonylhexane-2,3-diol.
What is the SMILES notation for (2R,3R,4S)-4-amino-6-cyclohexyl-1-propan-2-ylsulfonylhexane-2,3-diol?
The canonical SMILES for (2R,3R,4S)-4-amino-6-cyclohexyl-1-propan-2-ylsulfonylhexane-2,3-diol is CC(C)S(=O)(=O)C[C@H](O)[C@H](O)[C@@H](N)CCC1CCCCC1.
What is the InChIKey of (2R,3R,4S)-4-amino-6-cyclohexyl-1-propan-2-ylsulfonylhexane-2,3-diol?
The InChIKey is RMBCIMCUJBSBFX-SOUVJXGZSA-N. The full InChI is InChI=1S/C15H31NO4S/c1-11(2)21(19,20)10-14(17)15(18)13(16)9-8-12-6-4-3-5-7-12/h11-15,17-18H,3-10,16H2,1-2H3/t13-,14-,15+/m0/s1.
What are the key properties of (2R,3R,4S)-4-amino-6-cyclohexyl-1-propan-2-ylsulfonylhexane-2,3-diol?
(2R,3R,4S)-4-amino-6-cyclohexyl-1-propan-2-ylsulfonylhexane-2,3-diol has a molecular weight of 321.48 g/mol, XLogP of 1.22, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-4-amino-6-cyclohexyl-1-propan-2-ylsulfonylhexane-2,3-diol is sourced from PubChem (CID 18632652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).