4-ethylsulfanyl-2-methyl-2-(propylamino)pentanamide

C11H24N2OS — CID 64710629

IUPAC4-ethylsulfanyl-2-methyl-2-(propylamino)pentanamide
SMILESCCCNC(C)(CC(C)SCC)C(N)=O
InChIInChI=1S/C11H24N2OS/c1-5-7-13-11(4,10(12)14)8-9(3)15-6-2/h9,13H,5-8H2,1-4H3,(H2,12,14)
InChIKeyRPDDGBRDRPSNEW-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.76
Rot. Bonds8

About 4-ethylsulfanyl-2-methyl-2-(propylamino)pentanamide

4-ethylsulfanyl-2-methyl-2-(propylamino)pentanamide (PubChem CID 64710629) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 4-ethylsulfanyl-2-methyl-2-(propylamino)pentanamide.

Molecular Properties

Compound Name4-ethylsulfanyl-2-methyl-2-(propylamino)pentanamide
PubChem CID64710629
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name4-ethylsulfanyl-2-methyl-2-(propylamino)pentanamide
SMILESCCCNC(C)(CC(C)SCC)C(N)=O
InChIInChI=1S/C11H24N2OS/c1-5-7-13-11(4,10(12)14)8-9(3)15-6-2/h9,13H,5-8H2,1-4H3,(H2,12,14)
InChIKeyRPDDGBRDRPSNEW-UHFFFAOYSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(propylamino)-4-propylsulfanylpentanamide
CID 64711997
2-methyl-4-propan-2-ylsulfanyl-2-(propylamino)pentanamide
CID 64709561
methyl 4-ethylsulfanyl-2-methyl-2-(propylamino)pentanoate
CID 64710823
2-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentanamide
CID 64709010
3-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propylamino)propanamide
CID 107771709
ethyl 2-methyl-4-(2-methylpropylsulfanyl)-2-(propylamino)pentanoate
CID 64710603
4-(3,4-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide
CID 64712171
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentanamide
CID 102925681
2-methyl-4-(3-methylbutylsulfanyl)-2-(propylamino)pentanoic acid
CID 107756173
2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentanamide
CID 64702917
2-methyl-4-methylsulfanyl-2-(propylamino)pentanoic acid
CID 64712091
ethyl 2-methyl-4-(3-methylbutylsulfanyl)-2-(propylamino)pentanoate
CID 107756340

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-2-methyl-2-(propylamino)pentanamide?
The IUPAC name of 4-ethylsulfanyl-2-methyl-2-(propylamino)pentanamide (CID 64710629) is 4-ethylsulfanyl-2-methyl-2-(propylamino)pentanamide.
What is the SMILES notation for 4-ethylsulfanyl-2-methyl-2-(propylamino)pentanamide?
The canonical SMILES for 4-ethylsulfanyl-2-methyl-2-(propylamino)pentanamide is CCCNC(C)(CC(C)SCC)C(N)=O.
What is the InChIKey of 4-ethylsulfanyl-2-methyl-2-(propylamino)pentanamide?
The InChIKey is RPDDGBRDRPSNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-5-7-13-11(4,10(12)14)8-9(3)15-6-2/h9,13H,5-8H2,1-4H3,(H2,12,14).
What are the key properties of 4-ethylsulfanyl-2-methyl-2-(propylamino)pentanamide?
4-ethylsulfanyl-2-methyl-2-(propylamino)pentanamide has a molecular weight of 232.39 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-2-methyl-2-(propylamino)pentanamide is sourced from PubChem (CID 64710629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).