(2S)-2-amino-3-(cyclohexylsulfonylamino)propanoic acid

C9H18N2O4S — CID 67154372

IUPAC(2S)-2-amino-3-(cyclohexylsulfonylamino)propanoic acid
SMILESN[C@@H](CNS(=O)(=O)C1CCCCC1)C(=O)O
InChIInChI=1S/C9H18N2O4S/c10-8(9(12)13)6-11-16(14,15)7-4-2-1-3-5-7/h7-8,11H,1-6,10H2,(H,12,13)/t8-/m0/s1
InChIKeyJQATUWZEPCZPAY-QMMMGPOBSA-N
MW250.32 g/mol
LogP-0.35
Rot. Bonds5

About (2S)-2-amino-3-(cyclohexylsulfonylamino)propanoic acid

(2S)-2-amino-3-(cyclohexylsulfonylamino)propanoic acid (PubChem CID 67154372) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is (2S)-2-amino-3-(cyclohexylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(cyclohexylsulfonylamino)propanoic acid
PubChem CID67154372
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name(2S)-2-amino-3-(cyclohexylsulfonylamino)propanoic acid
SMILESN[C@@H](CNS(=O)(=O)C1CCCCC1)C(=O)O
InChIInChI=1S/C9H18N2O4S/c10-8(9(12)13)6-11-16(14,15)7-4-2-1-3-5-7/h7-8,11H,1-6,10H2,(H,12,13)/t8-/m0/s1
InChIKeyJQATUWZEPCZPAY-QMMMGPOBSA-N
XLogP-0.35
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(cyclohexylsulfonylamino)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(cyclohexylsulfonylamino)propanoic acid (CID 67154372) is (2S)-2-amino-3-(cyclohexylsulfonylamino)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(cyclohexylsulfonylamino)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(cyclohexylsulfonylamino)propanoic acid is N[C@@H](CNS(=O)(=O)C1CCCCC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(cyclohexylsulfonylamino)propanoic acid?
The InChIKey is JQATUWZEPCZPAY-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O4S/c10-8(9(12)13)6-11-16(14,15)7-4-2-1-3-5-7/h7-8,11H,1-6,10H2,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-(cyclohexylsulfonylamino)propanoic acid?
(2S)-2-amino-3-(cyclohexylsulfonylamino)propanoic acid has a molecular weight of 250.32 g/mol, XLogP of -0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(cyclohexylsulfonylamino)propanoic acid is sourced from PubChem (CID 67154372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).