N-methyl-4-(sulfanylamino)butanamide

C5H12N2OS — CID 59695052

IUPACN-methyl-4-(sulfanylamino)butanamide
SMILESCNC(=O)CCCNS
InChIInChI=1S/C5H12N2OS/c1-6-5(8)3-2-4-7-9/h7,9H,2-4H2,1H3,(H,6,8)
InChIKeyZKBLTXLPERKFEE-UHFFFAOYSA-N
MW148.23 g/mol
LogP-0.05
Rot. Bonds4

About N-methyl-4-(sulfanylamino)butanamide

N-methyl-4-(sulfanylamino)butanamide (PubChem CID 59695052) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is N-methyl-4-(sulfanylamino)butanamide.

Molecular Properties

Compound NameN-methyl-4-(sulfanylamino)butanamide
PubChem CID59695052
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC NameN-methyl-4-(sulfanylamino)butanamide
SMILESCNC(=O)CCCNS
InChIInChI=1S/C5H12N2OS/c1-6-5(8)3-2-4-7-9/h7,9H,2-4H2,1H3,(H,6,8)
InChIKeyZKBLTXLPERKFEE-UHFFFAOYSA-N
XLogP-0.05
TPSA41.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N,N'-dimethylheptanediamide
CID 15166696
N-methyl-N'-sulfanylnonanediamide
CID 143363504
N-methyl-4-(methylamino)butanamide;molecular hydrogen
CID 176574478
N-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butanamide
CID 63892682
N-methyl-4-(propan-2-ylamino)butanamide
CID 21054795
N-methyl-11-(methylamino)undecanamide
CID 59809097
N-methyl-6-sulfanylhexanamide
CID 58262294
N-methyl-4-(prop-2-ynylamino)butanamide
CID 63892463
4-(3-ethylpentan-3-ylamino)-N-methylbutanamide
CID 65039652
N-methyl-3-sulfanylpropanamide
CID 642906
4-[2-(dimethylamino)ethylamino]-N-methylbutanamide
CID 63890540
6-(methylamino)-6-oxohexanoic acid;pentanedioic acid
CID 175448112

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(sulfanylamino)butanamide?
The IUPAC name of N-methyl-4-(sulfanylamino)butanamide (CID 59695052) is N-methyl-4-(sulfanylamino)butanamide.
What is the SMILES notation for N-methyl-4-(sulfanylamino)butanamide?
The canonical SMILES for N-methyl-4-(sulfanylamino)butanamide is CNC(=O)CCCNS.
What is the InChIKey of N-methyl-4-(sulfanylamino)butanamide?
The InChIKey is ZKBLTXLPERKFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-6-5(8)3-2-4-7-9/h7,9H,2-4H2,1H3,(H,6,8).
What are the key properties of N-methyl-4-(sulfanylamino)butanamide?
N-methyl-4-(sulfanylamino)butanamide has a molecular weight of 148.23 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(sulfanylamino)butanamide is sourced from PubChem (CID 59695052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).