(2R,3S)-2,3-diamino-4-cyclohexylbutane-1-sulfonic acid

C10H22N2O3S — CID 154318738

IUPAC(2R,3S)-2,3-diamino-4-cyclohexylbutane-1-sulfonic acid
SMILESN[C@@H](CC1CCCCC1)[C@@H](N)CS(=O)(=O)O
InChIInChI=1S/C10H22N2O3S/c11-9(10(12)7-16(13,14)15)6-8-4-2-1-3-5-8/h8-10H,1-7,11-12H2,(H,13,14,15)/t9-,10-/m0/s1
InChIKeySQYZNWGCKCZHRG-UWVGGRQHSA-N
MW250.36 g/mol
LogP0.50
Rot. Bonds5

About (2R,3S)-2,3-diamino-4-cyclohexylbutane-1-sulfonic acid

(2R,3S)-2,3-diamino-4-cyclohexylbutane-1-sulfonic acid (PubChem CID 154318738) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is (2R,3S)-2,3-diamino-4-cyclohexylbutane-1-sulfonic acid.

Molecular Properties

Compound Name(2R,3S)-2,3-diamino-4-cyclohexylbutane-1-sulfonic acid
PubChem CID154318738
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name(2R,3S)-2,3-diamino-4-cyclohexylbutane-1-sulfonic acid
SMILESN[C@@H](CC1CCCCC1)[C@@H](N)CS(=O)(=O)O
InChIInChI=1S/C10H22N2O3S/c11-9(10(12)7-16(13,14)15)6-8-4-2-1-3-5-8/h8-10H,1-7,11-12H2,(H,13,14,15)/t9-,10-/m0/s1
InChIKeySQYZNWGCKCZHRG-UWVGGRQHSA-N
XLogP0.50
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol;hydrochloride
CID 18966333
(2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol
CID 10636664
3-cyclohexyl-2-propan-2-yloxypropane-1-sulfonic acid
CID 156663594
(3S)-3-amino-3-cyclohexyl-2-fluoropropane-1-sulfonic acid
CID 11579592
2-cycloheptyl-2-hydroxyethanesulfonic acid
CID 115033560
(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid
CID 10987299
(2R)-1-cyclohexyl-3-methylbutan-2-amine
CID 118964474
(2S)-3-amino-3-cyclopentyl-2-fluoropropane-1-sulfonic acid
CID 11514107
(2S,3S,5R)-2-amino-1-cyclohexyl-6-methylheptane-3,5-diol
CID 10681709
dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
2,2-bis(trifluoromethylsulfonyl)ethylcyclohexane
CID 87174631
1-cycloheptyl-3-ethylpentan-2-amine
CID 105014024

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-diamino-4-cyclohexylbutane-1-sulfonic acid?
The IUPAC name of (2R,3S)-2,3-diamino-4-cyclohexylbutane-1-sulfonic acid (CID 154318738) is (2R,3S)-2,3-diamino-4-cyclohexylbutane-1-sulfonic acid.
What is the SMILES notation for (2R,3S)-2,3-diamino-4-cyclohexylbutane-1-sulfonic acid?
The canonical SMILES for (2R,3S)-2,3-diamino-4-cyclohexylbutane-1-sulfonic acid is N[C@@H](CC1CCCCC1)[C@@H](N)CS(=O)(=O)O.
What is the InChIKey of (2R,3S)-2,3-diamino-4-cyclohexylbutane-1-sulfonic acid?
The InChIKey is SQYZNWGCKCZHRG-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H22N2O3S/c11-9(10(12)7-16(13,14)15)6-8-4-2-1-3-5-8/h8-10H,1-7,11-12H2,(H,13,14,15)/t9-,10-/m0/s1.
What are the key properties of (2R,3S)-2,3-diamino-4-cyclohexylbutane-1-sulfonic acid?
(2R,3S)-2,3-diamino-4-cyclohexylbutane-1-sulfonic acid has a molecular weight of 250.36 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-diamino-4-cyclohexylbutane-1-sulfonic acid is sourced from PubChem (CID 154318738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).