3-methyl-4-(sulfidoamino)butanamide

C5H11N2OS- — CID 176553092

IUPAC3-methyl-4-(sulfidoamino)butanamide
SMILESCC(CN[S-])CC(N)=O
InChIInChI=1S/C5H11N2OS/c1-4(3-7-9)2-5(6)8/h4,7H,2-3H2,1H3,(H2,6,8)/q-1
InChIKeyFGTMJZDZDRYCPO-UHFFFAOYSA-N
MW147.22 g/mol
LogP-0.45
Rot. Bonds4

About 3-methyl-4-(sulfidoamino)butanamide

3-methyl-4-(sulfidoamino)butanamide (PubChem CID 176553092) has the molecular formula C5H11N2OS- and a molecular weight of 147.22 g/mol. Its IUPAC name is 3-methyl-4-(sulfidoamino)butanamide.

Molecular Properties

Compound Name3-methyl-4-(sulfidoamino)butanamide
PubChem CID176553092
Molecular FormulaC5H11N2OS-
Molecular Weight147.22 g/mol
Exact Mass147.06
IUPAC Name3-methyl-4-(sulfidoamino)butanamide
SMILESCC(CN[S-])CC(N)=O
InChIInChI=1S/C5H11N2OS/c1-4(3-7-9)2-5(6)8/h4,7H,2-3H2,1H3,(H2,6,8)/q-1
InChIKeyFGTMJZDZDRYCPO-UHFFFAOYSA-N
XLogP-0.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(sulfidoamino)butanamide?
The IUPAC name of 3-methyl-4-(sulfidoamino)butanamide (CID 176553092) is 3-methyl-4-(sulfidoamino)butanamide.
What is the SMILES notation for 3-methyl-4-(sulfidoamino)butanamide?
The canonical SMILES for 3-methyl-4-(sulfidoamino)butanamide is CC(CN[S-])CC(N)=O.
What is the InChIKey of 3-methyl-4-(sulfidoamino)butanamide?
The InChIKey is FGTMJZDZDRYCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N2OS/c1-4(3-7-9)2-5(6)8/h4,7H,2-3H2,1H3,(H2,6,8)/q-1.
What are the key properties of 3-methyl-4-(sulfidoamino)butanamide?
3-methyl-4-(sulfidoamino)butanamide has a molecular weight of 147.22 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(sulfidoamino)butanamide is sourced from PubChem (CID 176553092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).