2-amino-4-(3-hydroxybutan-2-ylsulfanyl)butanamide

C8H18N2O2S — CID 107771805

IUPAC2-amino-4-(3-hydroxybutan-2-ylsulfanyl)butanamide
SMILESCC(O)C(C)SCCC(N)C(N)=O
InChIInChI=1S/C8H18N2O2S/c1-5(11)6(2)13-4-3-7(9)8(10)12/h5-7,11H,3-4,9H2,1-2H3,(H2,10,12)
InChIKeyIKTMCQVKGMEHJP-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.31
Rot. Bonds6

About 2-amino-4-(3-hydroxybutan-2-ylsulfanyl)butanamide

2-amino-4-(3-hydroxybutan-2-ylsulfanyl)butanamide (PubChem CID 107771805) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-amino-4-(3-hydroxybutan-2-ylsulfanyl)butanamide.

Molecular Properties

Compound Name2-amino-4-(3-hydroxybutan-2-ylsulfanyl)butanamide
PubChem CID107771805
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-amino-4-(3-hydroxybutan-2-ylsulfanyl)butanamide
SMILESCC(O)C(C)SCCC(N)C(N)=O
InChIInChI=1S/C8H18N2O2S/c1-5(11)6(2)13-4-3-7(9)8(10)12/h5-7,11H,3-4,9H2,1-2H3,(H2,10,12)
InChIKeyIKTMCQVKGMEHJP-UHFFFAOYSA-N
XLogP-0.31
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-methylsulfanylbutanamide;cobalt
CID 174423954
2-amino-4-(3-methylbutan-2-ylsulfanyl)butanoic acid
CID 107755865
2-amino-4-butylsulfanylbutanamide
CID 63034099
3-(4-aminohexylsulfanyl)butan-2-ol
CID 107772600
2-amino-4-(3,3-dimethylbutylsulfanyl)butanamide
CID 170770650
3-[(2R)-2-aminopropyl]sulfanylbutan-2-ol
CID 107772376
2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanamide
CID 66139088
N-carbamoyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 103705800
(2R)-2-aminohept-5-ynamide
CID 55284059
2-aminododecanamide;hydrochloride
CID 14881390
2-amino-4-(4-hydroxybutan-2-ylsulfanyl)butanoic acid
CID 66139313
4-amino-2-methyl-6-methylsulfanylhexan-3-one;ethane
CID 142239470

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-hydroxybutan-2-ylsulfanyl)butanamide?
The IUPAC name of 2-amino-4-(3-hydroxybutan-2-ylsulfanyl)butanamide (CID 107771805) is 2-amino-4-(3-hydroxybutan-2-ylsulfanyl)butanamide.
What is the SMILES notation for 2-amino-4-(3-hydroxybutan-2-ylsulfanyl)butanamide?
The canonical SMILES for 2-amino-4-(3-hydroxybutan-2-ylsulfanyl)butanamide is CC(O)C(C)SCCC(N)C(N)=O.
What is the InChIKey of 2-amino-4-(3-hydroxybutan-2-ylsulfanyl)butanamide?
The InChIKey is IKTMCQVKGMEHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-5(11)6(2)13-4-3-7(9)8(10)12/h5-7,11H,3-4,9H2,1-2H3,(H2,10,12).
What are the key properties of 2-amino-4-(3-hydroxybutan-2-ylsulfanyl)butanamide?
2-amino-4-(3-hydroxybutan-2-ylsulfanyl)butanamide has a molecular weight of 206.31 g/mol, XLogP of -0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-hydroxybutan-2-ylsulfanyl)butanamide is sourced from PubChem (CID 107771805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).