N-butan-2-yl-2-(1-methylsulfanylbutan-2-ylamino)propanamide

C12H26N2OS — CID 115899230

IUPACN-butan-2-yl-2-(1-methylsulfanylbutan-2-ylamino)propanamide
SMILESCCC(C)NC(=O)C(C)NC(CC)CSC
InChIInChI=1S/C12H26N2OS/c1-6-9(3)13-12(15)10(4)14-11(7-2)8-16-5/h9-11,14H,6-8H2,1-5H3,(H,13,15)
InChIKeyKXDRWLMHMAHZOY-UHFFFAOYSA-N
MW246.42 g/mol
LogP2.02
Rot. Bonds8

About N-butan-2-yl-2-(1-methylsulfanylbutan-2-ylamino)propanamide

N-butan-2-yl-2-(1-methylsulfanylbutan-2-ylamino)propanamide (PubChem CID 115899230) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is N-butan-2-yl-2-(1-methylsulfanylbutan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(1-methylsulfanylbutan-2-ylamino)propanamide
PubChem CID115899230
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC NameN-butan-2-yl-2-(1-methylsulfanylbutan-2-ylamino)propanamide
SMILESCCC(C)NC(=O)C(C)NC(CC)CSC
InChIInChI=1S/C12H26N2OS/c1-6-9(3)13-12(15)10(4)14-11(7-2)8-16-5/h9-11,14H,6-8H2,1-5H3,(H,13,15)
InChIKeyKXDRWLMHMAHZOY-UHFFFAOYSA-N
XLogP2.02
TPSA41.13 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 ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-butan-2-yl-2-(but-3-yn-2-ylamino)propanamide
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2-methyl-3-(1-methylsulfanylbutan-2-ylamino)-3-oxopropanoic acid
CID 114899029
N-butan-2-yl-2-(6-methylheptan-2-ylamino)propanamide
CID 60719517
N-butan-2-yl-2-(5-methylsulfanylpentylamino)propanamide
CID 114127259
N-[(2R)-butan-2-yl]-2-methylbutanamide
CID 88542995
N-(furan-2-ylmethyl)-2-(1-methylsulfanylbutan-2-ylamino)propanamide
CID 113494652
N-butan-2-yl-2-(2-methylpropylamino)propanamide
CID 43113054
N-butan-2-yl-2-[[(1S)-1-cyclopentylethyl]amino]propanamide
CID 81396140
2-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-methylpentanamide
CID 119756305
N-butan-2-yl-2-propylpentanamide
CID 115532227

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(1-methylsulfanylbutan-2-ylamino)propanamide?
The IUPAC name of N-butan-2-yl-2-(1-methylsulfanylbutan-2-ylamino)propanamide (CID 115899230) is N-butan-2-yl-2-(1-methylsulfanylbutan-2-ylamino)propanamide.
What is the SMILES notation for N-butan-2-yl-2-(1-methylsulfanylbutan-2-ylamino)propanamide?
The canonical SMILES for N-butan-2-yl-2-(1-methylsulfanylbutan-2-ylamino)propanamide is CCC(C)NC(=O)C(C)NC(CC)CSC.
What is the InChIKey of N-butan-2-yl-2-(1-methylsulfanylbutan-2-ylamino)propanamide?
The InChIKey is KXDRWLMHMAHZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-6-9(3)13-12(15)10(4)14-11(7-2)8-16-5/h9-11,14H,6-8H2,1-5H3,(H,13,15).
What are the key properties of N-butan-2-yl-2-(1-methylsulfanylbutan-2-ylamino)propanamide?
N-butan-2-yl-2-(1-methylsulfanylbutan-2-ylamino)propanamide has a molecular weight of 246.42 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(1-methylsulfanylbutan-2-ylamino)propanamide is sourced from PubChem (CID 115899230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).