4-butan-2-ylsulfanyl-2-(propan-2-ylamino)butanamide

C11H24N2OS — CID 63034299

IUPAC4-butan-2-ylsulfanyl-2-(propan-2-ylamino)butanamide
SMILESCCC(C)SCCC(NC(C)C)C(N)=O
InChIInChI=1S/C11H24N2OS/c1-5-9(4)15-7-6-10(11(12)14)13-8(2)3/h8-10,13H,5-7H2,1-4H3,(H2,12,14)
InChIKeyNHJOGWQAMUVREF-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.76
Rot. Bonds8

About 4-butan-2-ylsulfanyl-2-(propan-2-ylamino)butanamide

4-butan-2-ylsulfanyl-2-(propan-2-ylamino)butanamide (PubChem CID 63034299) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 4-butan-2-ylsulfanyl-2-(propan-2-ylamino)butanamide.

Molecular Properties

Compound Name4-butan-2-ylsulfanyl-2-(propan-2-ylamino)butanamide
PubChem CID63034299
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name4-butan-2-ylsulfanyl-2-(propan-2-ylamino)butanamide
SMILESCCC(C)SCCC(NC(C)C)C(N)=O
InChIInChI=1S/C11H24N2OS/c1-5-9(4)15-7-6-10(11(12)14)13-8(2)3/h8-10,13H,5-7H2,1-4H3,(H2,12,14)
InChIKeyNHJOGWQAMUVREF-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

4-butan-2-ylsulfanyl-2-(methylamino)butanamide
CID 63034115
4-butan-2-ylsulfanyl-2-(ethylamino)butanamide
CID 63033750
2-(ethylamino)-4-(4-hydroxybutan-2-ylsulfanyl)butanamide
CID 66135951
4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanamide
CID 55144942
2-(propan-2-ylamino)-4-(2-propoxyethoxy)butanamide
CID 55234469
2-(propan-2-ylamino)butanediamide
CID 66427979
2-(propan-2-ylamino)-4-(2-propan-2-yloxyethoxy)butanamide
CID 55144921
4-butan-2-ylsulfanyl-2-(propan-2-ylamino)butanenitrile
CID 63053353
2-[(1-amino-1-oxobutan-2-yl)amino]butanamide
CID 174420695
4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanamide
CID 63055362
2-(methylamino)-3-[[3-oxo-2-(propan-2-ylamino)butyl]disulfanyl]propanamide
CID 91008719
2-(propan-2-ylamino)-4-(1,3-thiazol-2-ylsulfanyl)butanamide
CID 63034358

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylsulfanyl-2-(propan-2-ylamino)butanamide?
The IUPAC name of 4-butan-2-ylsulfanyl-2-(propan-2-ylamino)butanamide (CID 63034299) is 4-butan-2-ylsulfanyl-2-(propan-2-ylamino)butanamide.
What is the SMILES notation for 4-butan-2-ylsulfanyl-2-(propan-2-ylamino)butanamide?
The canonical SMILES for 4-butan-2-ylsulfanyl-2-(propan-2-ylamino)butanamide is CCC(C)SCCC(NC(C)C)C(N)=O.
What is the InChIKey of 4-butan-2-ylsulfanyl-2-(propan-2-ylamino)butanamide?
The InChIKey is NHJOGWQAMUVREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-5-9(4)15-7-6-10(11(12)14)13-8(2)3/h8-10,13H,5-7H2,1-4H3,(H2,12,14).
What are the key properties of 4-butan-2-ylsulfanyl-2-(propan-2-ylamino)butanamide?
4-butan-2-ylsulfanyl-2-(propan-2-ylamino)butanamide 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-butan-2-ylsulfanyl-2-(propan-2-ylamino)butanamide is sourced from PubChem (CID 63034299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).