2-(2-aminopropylsulfanyl)-N,N-diethylpropanamide

C10H22N2OS — CID 66219204

IUPAC2-(2-aminopropylsulfanyl)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)SCC(C)N
InChIInChI=1S/C10H22N2OS/c1-5-12(6-2)10(13)9(4)14-7-8(3)11/h8-9H,5-7,11H2,1-4H3
InChIKeyYNRZZTKQRMLTJR-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.32
Rot. Bonds6

About 2-(2-aminopropylsulfanyl)-N,N-diethylpropanamide

2-(2-aminopropylsulfanyl)-N,N-diethylpropanamide (PubChem CID 66219204) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 2-(2-aminopropylsulfanyl)-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(2-aminopropylsulfanyl)-N,N-diethylpropanamide
PubChem CID66219204
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name2-(2-aminopropylsulfanyl)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)SCC(C)N
InChIInChI=1S/C10H22N2OS/c1-5-12(6-2)10(13)9(4)14-7-8(3)11/h8-9H,5-7,11H2,1-4H3
InChIKeyYNRZZTKQRMLTJR-UHFFFAOYSA-N
XLogP1.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-(3-hydroxypropylsulfanyl)propanamide
CID 66128071
2-amino-N,N-diethyl-4-methylpentanamide
CID 24697294
2-[2-butylsulfanylpropanoyl(ethyl)amino]acetic acid
CID 115730656
N,N-diethyl-2-(1-methylsulfanylpropan-2-ylamino)propanamide
CID 115639005
N,N-diethyl-2-[(2-methylphenyl)methylsulfanyl]propanamide
CID 78841431
(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
methyl 2-[1-[[1-(diethylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetate
CID 107776024
2-amino-N,N-diethylpropanamide;methyl 2-aminopropanoate
CID 87889467
2-(2-aminophenyl)sulfanyl-N,N-diethylpropanamide
CID 43117358
(2S)-N,N-diethyl-2-phenylsulfanylpropanamide
CID 39073889
2-amino-3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]propanamide
CID 103262824
2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylpropanamide
CID 61219994

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropylsulfanyl)-N,N-diethylpropanamide?
The IUPAC name of 2-(2-aminopropylsulfanyl)-N,N-diethylpropanamide (CID 66219204) is 2-(2-aminopropylsulfanyl)-N,N-diethylpropanamide.
What is the SMILES notation for 2-(2-aminopropylsulfanyl)-N,N-diethylpropanamide?
The canonical SMILES for 2-(2-aminopropylsulfanyl)-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)SCC(C)N.
What is the InChIKey of 2-(2-aminopropylsulfanyl)-N,N-diethylpropanamide?
The InChIKey is YNRZZTKQRMLTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-5-12(6-2)10(13)9(4)14-7-8(3)11/h8-9H,5-7,11H2,1-4H3.
What are the key properties of 2-(2-aminopropylsulfanyl)-N,N-diethylpropanamide?
2-(2-aminopropylsulfanyl)-N,N-diethylpropanamide has a molecular weight of 218.37 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropylsulfanyl)-N,N-diethylpropanamide is sourced from PubChem (CID 66219204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).