2-methyl-2-(propylamino)-4-propylsulfanylpentanamide

C12H26N2OS — CID 64711997

IUPAC2-methyl-2-(propylamino)-4-propylsulfanylpentanamide
SMILESCCCNC(C)(CC(C)SCCC)C(N)=O
InChIInChI=1S/C12H26N2OS/c1-5-7-14-12(4,11(13)15)9-10(3)16-8-6-2/h10,14H,5-9H2,1-4H3,(H2,13,15)
InChIKeyDYHSNDMJWJHFSC-UHFFFAOYSA-N
MW246.42 g/mol
LogP2.15
Rot. Bonds9

About 2-methyl-2-(propylamino)-4-propylsulfanylpentanamide

2-methyl-2-(propylamino)-4-propylsulfanylpentanamide (PubChem CID 64711997) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is 2-methyl-2-(propylamino)-4-propylsulfanylpentanamide.

Molecular Properties

Compound Name2-methyl-2-(propylamino)-4-propylsulfanylpentanamide
PubChem CID64711997
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC Name2-methyl-2-(propylamino)-4-propylsulfanylpentanamide
SMILESCCCNC(C)(CC(C)SCCC)C(N)=O
InChIInChI=1S/C12H26N2OS/c1-5-7-14-12(4,11(13)15)9-10(3)16-8-6-2/h10,14H,5-9H2,1-4H3,(H2,13,15)
InChIKeyDYHSNDMJWJHFSC-UHFFFAOYSA-N
XLogP2.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylsulfanyl-2-methyl-2-(propylamino)pentanamide
CID 64710629
2-methyl-4-propan-2-ylsulfanyl-2-(propylamino)pentanamide
CID 64709561
2-methyl-4-(3-methylbutylsulfanyl)-2-(propylamino)pentanoic acid
CID 107756173
ethyl 2-methyl-4-(3-methylbutylsulfanyl)-2-(propylamino)pentanoate
CID 107756340
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
methyl 4-ethylsulfanyl-2-methyl-2-(propylamino)pentanoate
CID 64710823
ethyl 2-methyl-4-(2-methylsulfonylethylsulfanyl)-2-(propylamino)pentanoate
CID 64704559
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-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentanamide
CID 64702917

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propylamino)-4-propylsulfanylpentanamide?
The IUPAC name of 2-methyl-2-(propylamino)-4-propylsulfanylpentanamide (CID 64711997) is 2-methyl-2-(propylamino)-4-propylsulfanylpentanamide.
What is the SMILES notation for 2-methyl-2-(propylamino)-4-propylsulfanylpentanamide?
The canonical SMILES for 2-methyl-2-(propylamino)-4-propylsulfanylpentanamide is CCCNC(C)(CC(C)SCCC)C(N)=O.
What is the InChIKey of 2-methyl-2-(propylamino)-4-propylsulfanylpentanamide?
The InChIKey is DYHSNDMJWJHFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-5-7-14-12(4,11(13)15)9-10(3)16-8-6-2/h10,14H,5-9H2,1-4H3,(H2,13,15).
What are the key properties of 2-methyl-2-(propylamino)-4-propylsulfanylpentanamide?
2-methyl-2-(propylamino)-4-propylsulfanylpentanamide has a molecular weight of 246.42 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propylamino)-4-propylsulfanylpentanamide is sourced from PubChem (CID 64711997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).