(3R)-5-amino-3-methyl-5-sulfanylidenepentanamide

C6H12N2OS — CID 173060911

IUPAC(3R)-5-amino-3-methyl-5-sulfanylidenepentanamide
SMILESC[C@H](CC(N)=O)CC(N)=S
InChIInChI=1S/C6H12N2OS/c1-4(2-5(7)9)3-6(8)10/h4H,2-3H2,1H3,(H2,7,9)(H2,8,10)/t4-/m1/s1
InChIKeyHEMIHFBHLZROBQ-SCSAIBSYSA-N
MW160.24 g/mol
LogP0.17
Rot. Bonds4

About (3R)-5-amino-3-methyl-5-sulfanylidenepentanamide

(3R)-5-amino-3-methyl-5-sulfanylidenepentanamide (PubChem CID 173060911) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is (3R)-5-amino-3-methyl-5-sulfanylidenepentanamide.

Molecular Properties

Compound Name(3R)-5-amino-3-methyl-5-sulfanylidenepentanamide
PubChem CID173060911
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC Name(3R)-5-amino-3-methyl-5-sulfanylidenepentanamide
SMILESC[C@H](CC(N)=O)CC(N)=S
InChIInChI=1S/C6H12N2OS/c1-4(2-5(7)9)3-6(8)10/h4H,2-3H2,1H3,(H2,7,9)(H2,8,10)/t4-/m1/s1
InChIKeyHEMIHFBHLZROBQ-SCSAIBSYSA-N
XLogP0.17
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(3R)-5-amino-3-methyl-5-oxopentanoic acid
CID 55285544
3-methylpentanethioamide
CID 54078997
ethane;4-hydroxy-3-methylbutanamide
CID 170602711
(3R)-5-hydrazinyl-3-methyl-5-oxopentanamide
CID 173105688
3-methylhexanethioamide
CID 62266402
3-methylbutanamide
CID 87933309
(3R)-N'-methoxy-3-methylpentanediamide
CID 173105734
(3S)-5-(ethylcarbamothioylamino)-3-methylpentanamide
CID 173107683
(3S)-3-aminobutanamide;hydrochloride
CID 57478871
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methylpropanamide
CID 62093157
3-sulfanylpentanediamide
CID 87903266
4-hydroxy-3-methylpentanamide
CID 21402958

Frequently Asked Questions

What is the IUPAC name of (3R)-5-amino-3-methyl-5-sulfanylidenepentanamide?
The IUPAC name of (3R)-5-amino-3-methyl-5-sulfanylidenepentanamide (CID 173060911) is (3R)-5-amino-3-methyl-5-sulfanylidenepentanamide.
What is the SMILES notation for (3R)-5-amino-3-methyl-5-sulfanylidenepentanamide?
The canonical SMILES for (3R)-5-amino-3-methyl-5-sulfanylidenepentanamide is C[C@H](CC(N)=O)CC(N)=S.
What is the InChIKey of (3R)-5-amino-3-methyl-5-sulfanylidenepentanamide?
The InChIKey is HEMIHFBHLZROBQ-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H12N2OS/c1-4(2-5(7)9)3-6(8)10/h4H,2-3H2,1H3,(H2,7,9)(H2,8,10)/t4-/m1/s1.
What are the key properties of (3R)-5-amino-3-methyl-5-sulfanylidenepentanamide?
(3R)-5-amino-3-methyl-5-sulfanylidenepentanamide has a molecular weight of 160.24 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-amino-3-methyl-5-sulfanylidenepentanamide is sourced from PubChem (CID 173060911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).