(2R)-2-amino-N-butyl-3-ethylsulfanylpropanamide

C9H20N2OS — CID 13059403

IUPAC(2R)-2-amino-N-butyl-3-ethylsulfanylpropanamide
SMILESCCCCNC(=O)[C@@H](N)CSCC
InChIInChI=1S/C9H20N2OS/c1-3-5-6-11-9(12)8(10)7-13-4-2/h8H,3-7,10H2,1-2H3,(H,11,12)/t8-/m0/s1
InChIKeyYSYBMOWSZFPQHX-QMMMGPOBSA-N
MW204.34 g/mol
LogP0.98
Rot. Bonds7

About (2R)-2-amino-N-butyl-3-ethylsulfanylpropanamide

(2R)-2-amino-N-butyl-3-ethylsulfanylpropanamide (PubChem CID 13059403) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is (2R)-2-amino-N-butyl-3-ethylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-butyl-3-ethylsulfanylpropanamide
PubChem CID13059403
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name(2R)-2-amino-N-butyl-3-ethylsulfanylpropanamide
SMILESCCCCNC(=O)[C@@H](N)CSCC
InChIInChI=1S/C9H20N2OS/c1-3-5-6-11-9(12)8(10)7-13-4-2/h8H,3-7,10H2,1-2H3,(H,11,12)/t8-/m0/s1
InChIKeyYSYBMOWSZFPQHX-QMMMGPOBSA-N
XLogP0.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-ethyl-3-ethylsulfanylpropanamide
CID 13059396
(2R)-2-amino-N-butylpentanamide
CID 82668431
(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
(2S)-2-amino-N-butyl-4-chlorobutanamide
CID 169302216
(2S)-2-amino-N-butyl(113C)propanamide
CID 157365112
(2S)-2-amino-N-butylpropan(15N)amide
CID 158456310
(2R)-2-amino-N-tetradecylbutanamide
CID 158842614
2-amino-N-hexylhexanamide
CID 60852762
2,3-diamino-N-octadecylpropanamide
CID 158457421
2-amino-3-chloro-N-pentylpropanamide
CID 18966849
(2R)-2-amino-3-hydroxy-N-octylpropanamide
CID 82675053
2-amino-N-butyl-4-methylsulfonylbutanamide
CID 24690618

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-butyl-3-ethylsulfanylpropanamide?
The IUPAC name of (2R)-2-amino-N-butyl-3-ethylsulfanylpropanamide (CID 13059403) is (2R)-2-amino-N-butyl-3-ethylsulfanylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-butyl-3-ethylsulfanylpropanamide?
The canonical SMILES for (2R)-2-amino-N-butyl-3-ethylsulfanylpropanamide is CCCCNC(=O)[C@@H](N)CSCC.
What is the InChIKey of (2R)-2-amino-N-butyl-3-ethylsulfanylpropanamide?
The InChIKey is YSYBMOWSZFPQHX-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-3-5-6-11-9(12)8(10)7-13-4-2/h8H,3-7,10H2,1-2H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (2R)-2-amino-N-butyl-3-ethylsulfanylpropanamide?
(2R)-2-amino-N-butyl-3-ethylsulfanylpropanamide has a molecular weight of 204.34 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-butyl-3-ethylsulfanylpropanamide is sourced from PubChem (CID 13059403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).