(2S)-2-amino-3-cyclohexyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide

C13H27N3O3S — CID 56739318

IUPAC(2S)-2-amino-3-cyclohexyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide
SMILESCN(C)S(=O)(=O)CCNC(=O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C13H27N3O3S/c1-16(2)20(18,19)9-8-15-13(17)12(14)10-11-6-4-3-5-7-11/h11-12H,3-10,14H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyJQRNKXLSXJMEQU-LBPRGKRZSA-N
MW305.44 g/mol
LogP0.29
Rot. Bonds7

About (2S)-2-amino-3-cyclohexyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide

(2S)-2-amino-3-cyclohexyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide (PubChem CID 56739318) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is (2S)-2-amino-3-cyclohexyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-cyclohexyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide
PubChem CID56739318
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name(2S)-2-amino-3-cyclohexyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide
SMILESCN(C)S(=O)(=O)CCNC(=O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C13H27N3O3S/c1-16(2)20(18,19)9-8-15-13(17)12(14)10-11-6-4-3-5-7-11/h11-12H,3-10,14H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyJQRNKXLSXJMEQU-LBPRGKRZSA-N
XLogP0.29
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-cyclohexyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide?
The IUPAC name of (2S)-2-amino-3-cyclohexyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide (CID 56739318) is (2S)-2-amino-3-cyclohexyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-cyclohexyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-cyclohexyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide is CN(C)S(=O)(=O)CCNC(=O)[C@@H](N)CC1CCCCC1.
What is the InChIKey of (2S)-2-amino-3-cyclohexyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide?
The InChIKey is JQRNKXLSXJMEQU-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-16(2)20(18,19)9-8-15-13(17)12(14)10-11-6-4-3-5-7-11/h11-12H,3-10,14H2,1-2H3,(H,15,17)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-3-cyclohexyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide?
(2S)-2-amino-3-cyclohexyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide has a molecular weight of 305.44 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-cyclohexyl-N-[2-(dimethylsulfamoyl)ethyl]propanamide is sourced from PubChem (CID 56739318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).