4-butan-2-ylsulfanyl-2-(methylamino)butanamide

C9H20N2OS — CID 63034115

IUPAC4-butan-2-ylsulfanyl-2-(methylamino)butanamide
SMILESCCC(C)SCCC(NC)C(N)=O
InChIInChI=1S/C9H20N2OS/c1-4-7(2)13-6-5-8(11-3)9(10)12/h7-8,11H,4-6H2,1-3H3,(H2,10,12)
InChIKeyUXJCOXGGRBXOJA-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.98
Rot. Bonds7

About 4-butan-2-ylsulfanyl-2-(methylamino)butanamide

4-butan-2-ylsulfanyl-2-(methylamino)butanamide (PubChem CID 63034115) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 4-butan-2-ylsulfanyl-2-(methylamino)butanamide.

Molecular Properties

Compound Name4-butan-2-ylsulfanyl-2-(methylamino)butanamide
PubChem CID63034115
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name4-butan-2-ylsulfanyl-2-(methylamino)butanamide
SMILESCCC(C)SCCC(NC)C(N)=O
InChIInChI=1S/C9H20N2OS/c1-4-7(2)13-6-5-8(11-3)9(10)12/h7-8,11H,4-6H2,1-3H3,(H2,10,12)
InChIKeyUXJCOXGGRBXOJA-UHFFFAOYSA-N
XLogP0.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butan-2-ylsulfanyl-2-(ethylamino)butanamide
CID 63033750
4-butan-2-ylsulfanyl-2-(propan-2-ylamino)butanamide
CID 63034299
2,5-bis(methylamino)hexanediamide
CID 66221520
2-(ethylamino)-4-(4-hydroxybutan-2-ylsulfanyl)butanamide
CID 66135951
4-[butan-2-yl(butyl)amino]-2-(methylamino)butanamide
CID 63053272
2-(methylamino)-4-(2-methylbutylsulfanyl)butanoic acid
CID 107756090
3-butan-2-ylsulfanylpropanoic acid
CID 560596
4-cyclopentylsulfanyl-2-(methylamino)butanamide
CID 63115981
2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
CID 63034349
(2S)-2-(methylamino)-4-methylsulfanylbutanoic acid
CID 6451891
2-(methylamino)-4-(4-methylphenyl)sulfanylbutanamide
CID 63034830
2-(methylamino)-4-propan-2-yloxybutanamide
CID 63041361

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylsulfanyl-2-(methylamino)butanamide?
The IUPAC name of 4-butan-2-ylsulfanyl-2-(methylamino)butanamide (CID 63034115) is 4-butan-2-ylsulfanyl-2-(methylamino)butanamide.
What is the SMILES notation for 4-butan-2-ylsulfanyl-2-(methylamino)butanamide?
The canonical SMILES for 4-butan-2-ylsulfanyl-2-(methylamino)butanamide is CCC(C)SCCC(NC)C(N)=O.
What is the InChIKey of 4-butan-2-ylsulfanyl-2-(methylamino)butanamide?
The InChIKey is UXJCOXGGRBXOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-4-7(2)13-6-5-8(11-3)9(10)12/h7-8,11H,4-6H2,1-3H3,(H2,10,12).
What are the key properties of 4-butan-2-ylsulfanyl-2-(methylamino)butanamide?
4-butan-2-ylsulfanyl-2-(methylamino)butanamide has a molecular weight of 204.34 g/mol, XLogP of 0.98, 7 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-(methylamino)butanamide is sourced from PubChem (CID 63034115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).