(3S)-2-amino-3-methylpentanamide;sulfane

C6H18N2OS2 — CID 159517895

IUPAC(3S)-2-amino-3-methylpentanamide;sulfane
SMILESCC[C@H](C)C(N)C(N)=O.S.S
InChIInChI=1S/C6H14N2O.2H2S/c1-3-4(2)5(7)6(8)9;;/h4-5H,3,7H2,1-2H3,(H2,8,9);2*1H2/t4-,5?;;/m0../s1
InChIKeyMBKYFEAEIUVVDZ-HGGBEQKDSA-N
MW198.36 g/mol
LogP0.07
Rot. Bonds3

About (3S)-2-amino-3-methylpentanamide;sulfane

(3S)-2-amino-3-methylpentanamide;sulfane (PubChem CID 159517895) has the molecular formula C6H18N2OS2 and a molecular weight of 198.36 g/mol. Its IUPAC name is (3S)-2-amino-3-methylpentanamide;sulfane.

Molecular Properties

Compound Name(3S)-2-amino-3-methylpentanamide;sulfane
PubChem CID159517895
Molecular FormulaC6H18N2OS2
Molecular Weight198.36 g/mol
Exact Mass198.09
IUPAC Name(3S)-2-amino-3-methylpentanamide;sulfane
SMILESCC[C@H](C)C(N)C(N)=O.S.S
InChIInChI=1S/C6H14N2O.2H2S/c1-3-4(2)5(7)6(8)9;;/h4-5H,3,7H2,1-2H3,(H2,8,9);2*1H2/t4-,5?;;/m0../s1
InChIKeyMBKYFEAEIUVVDZ-HGGBEQKDSA-N
XLogP0.07
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.36
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-methylpentanamide
CID 10290817
2-amino-3-methylpentanamide;2,3-dimethylbutane
CID 22928550
2-amino-3,4-dimethylhexanamide
CID 131230677
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
(2S,3R)-2-amino-3-methylpentanoic acid;hydrate
CID 162355380
(2R)-2-amino-3-silylpentanamide
CID 174157180
2-amino-3-methylpentanoic acid;azane
CID 87185080
2-amino-3-methylpentanoic acid;manganese
CID 175109832
sodium (2S,3S)-2-amino-3-methylpentanoic acid
CID 71594993
2-amino-3-methylpentanoic acid;hydrochloride
CID 13000955
(5R)-4-amino-2,5-dimethylheptan-3-one
CID 59877270

Frequently Asked Questions

What is the IUPAC name of (3S)-2-amino-3-methylpentanamide;sulfane?
The IUPAC name of (3S)-2-amino-3-methylpentanamide;sulfane (CID 159517895) is (3S)-2-amino-3-methylpentanamide;sulfane.
What is the SMILES notation for (3S)-2-amino-3-methylpentanamide;sulfane?
The canonical SMILES for (3S)-2-amino-3-methylpentanamide;sulfane is CC[C@H](C)C(N)C(N)=O.S.S.
What is the InChIKey of (3S)-2-amino-3-methylpentanamide;sulfane?
The InChIKey is MBKYFEAEIUVVDZ-HGGBEQKDSA-N. The full InChI is InChI=1S/C6H14N2O.2H2S/c1-3-4(2)5(7)6(8)9;;/h4-5H,3,7H2,1-2H3,(H2,8,9);2*1H2/t4-,5?;;/m0../s1.
What are the key properties of (3S)-2-amino-3-methylpentanamide;sulfane?
(3S)-2-amino-3-methylpentanamide;sulfane has a molecular weight of 198.36 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-amino-3-methylpentanamide;sulfane is sourced from PubChem (CID 159517895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).