2-amino-N-ethyl-3-ethylsulfanylpropanamide

C7H16N2OS — CID 13059396

IUPAC2-amino-N-ethyl-3-ethylsulfanylpropanamide
SMILESCCNC(=O)C(N)CSCC
InChIInChI=1S/C7H16N2OS/c1-3-9-7(10)6(8)5-11-4-2/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyBKQLWGZZQBWBJW-UHFFFAOYSA-N
MW176.28 g/mol
LogP0.20
Rot. Bonds5

About 2-amino-N-ethyl-3-ethylsulfanylpropanamide

2-amino-N-ethyl-3-ethylsulfanylpropanamide (PubChem CID 13059396) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is 2-amino-N-ethyl-3-ethylsulfanylpropanamide.

Molecular Properties

Compound Name2-amino-N-ethyl-3-ethylsulfanylpropanamide
PubChem CID13059396
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name2-amino-N-ethyl-3-ethylsulfanylpropanamide
SMILESCCNC(=O)C(N)CSCC
InChIInChI=1S/C7H16N2OS/c1-3-9-7(10)6(8)5-11-4-2/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyBKQLWGZZQBWBJW-UHFFFAOYSA-N
XLogP0.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-butyl-3-ethylsulfanylpropanamide
CID 13059403
N-ethyl-2-(ethylsulfanylmethyl)-3,3,3-trifluoropropanamide
CID 90338985
2-amino-N-ethyl-3-(methylamino)propanamide
CID 89258842
(2R)-2-amino-N-ethyl-3-sulfanylpropanamide;hydrochloride
CID 139691176
2-amino-N,N'-diethylpropanediamide
CID 88901749
2-amino-N-ethyl-4-oxobutanamide
CID 143988292
(2R)-2-amino-3-ethylsulfanyl-N-pyrrolidin-1-ylpropanamide;hydrochloride
CID 70514522
(2R)-2-amino-3-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 61141480
2-amino-N-ethyl-4-methylsulfonylbutanamide
CID 24697380
(2R)-2-amino-3-cyclopropyl-N-ethylpropanamide
CID 82668057
(2S)-2-amino-N-ethyl-5-oxopentanamide
CID 144523819
3-[(2R)-2-amino-2-carboxyethyl]sulfanyl-4-(ethylamino)-4-oxobutanoic acid
CID 145373151

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-3-ethylsulfanylpropanamide?
The IUPAC name of 2-amino-N-ethyl-3-ethylsulfanylpropanamide (CID 13059396) is 2-amino-N-ethyl-3-ethylsulfanylpropanamide.
What is the SMILES notation for 2-amino-N-ethyl-3-ethylsulfanylpropanamide?
The canonical SMILES for 2-amino-N-ethyl-3-ethylsulfanylpropanamide is CCNC(=O)C(N)CSCC.
What is the InChIKey of 2-amino-N-ethyl-3-ethylsulfanylpropanamide?
The InChIKey is BKQLWGZZQBWBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-3-9-7(10)6(8)5-11-4-2/h6H,3-5,8H2,1-2H3,(H,9,10).
What are the key properties of 2-amino-N-ethyl-3-ethylsulfanylpropanamide?
2-amino-N-ethyl-3-ethylsulfanylpropanamide has a molecular weight of 176.28 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-3-ethylsulfanylpropanamide is sourced from PubChem (CID 13059396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).