2-methyl-4-propan-2-ylsulfanyl-2-(propylamino)pentanamide

C12H26N2OS — CID 64709561

IUPAC2-methyl-4-propan-2-ylsulfanyl-2-(propylamino)pentanamide
SMILESCCCNC(C)(CC(C)SC(C)C)C(N)=O
InChIInChI=1S/C12H26N2OS/c1-6-7-14-12(5,11(13)15)8-10(4)16-9(2)3/h9-10,14H,6-8H2,1-5H3,(H2,13,15)
InChIKeyQRTZEKJYQSNRIX-UHFFFAOYSA-N
MW246.42 g/mol
LogP2.15
Rot. Bonds8

About 2-methyl-4-propan-2-ylsulfanyl-2-(propylamino)pentanamide

2-methyl-4-propan-2-ylsulfanyl-2-(propylamino)pentanamide (PubChem CID 64709561) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is 2-methyl-4-propan-2-ylsulfanyl-2-(propylamino)pentanamide.

Molecular Properties

Compound Name2-methyl-4-propan-2-ylsulfanyl-2-(propylamino)pentanamide
PubChem CID64709561
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC Name2-methyl-4-propan-2-ylsulfanyl-2-(propylamino)pentanamide
SMILESCCCNC(C)(CC(C)SC(C)C)C(N)=O
InChIInChI=1S/C12H26N2OS/c1-6-7-14-12(5,11(13)15)8-10(4)16-9(2)3/h9-10,14H,6-8H2,1-5H3,(H2,13,15)
InChIKeyQRTZEKJYQSNRIX-UHFFFAOYSA-N
XLogP2.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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-2-(propylamino)-4-propylsulfanylpentanamide
CID 64711997
2-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentanamide
CID 64709010
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentanamide
CID 102925681
4-(3,4-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide
CID 64712171
2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentanamide
CID 64702917
2-methyl-4-methylsulfanyl-2-(propylamino)pentanoic acid
CID 64712091
3-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propylamino)propanamide
CID 107771709
4-[(3-bromo-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentanamide
CID 64703758
2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanamide
CID 64712180
4-[2-methoxyethyl(methyl)amino]-2-methyl-2-(propylamino)pentanamide
CID 64710690
4-(3-methoxy-3-methylbutoxy)-2-methyl-2-(propylamino)pentanamide
CID 106666691

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-ylsulfanyl-2-(propylamino)pentanamide?
The IUPAC name of 2-methyl-4-propan-2-ylsulfanyl-2-(propylamino)pentanamide (CID 64709561) is 2-methyl-4-propan-2-ylsulfanyl-2-(propylamino)pentanamide.
What is the SMILES notation for 2-methyl-4-propan-2-ylsulfanyl-2-(propylamino)pentanamide?
The canonical SMILES for 2-methyl-4-propan-2-ylsulfanyl-2-(propylamino)pentanamide is CCCNC(C)(CC(C)SC(C)C)C(N)=O.
What is the InChIKey of 2-methyl-4-propan-2-ylsulfanyl-2-(propylamino)pentanamide?
The InChIKey is QRTZEKJYQSNRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-6-7-14-12(5,11(13)15)8-10(4)16-9(2)3/h9-10,14H,6-8H2,1-5H3,(H2,13,15).
What are the key properties of 2-methyl-4-propan-2-ylsulfanyl-2-(propylamino)pentanamide?
2-methyl-4-propan-2-ylsulfanyl-2-(propylamino)pentanamide has a molecular weight of 246.42 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-ylsulfanyl-2-(propylamino)pentanamide is sourced from PubChem (CID 64709561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).