N-(aminomethyl)-3-sulfanylpropanamide

C4H10N2OS — CID 117126503

IUPACN-(aminomethyl)-3-sulfanylpropanamide
SMILESNCNC(=O)CCS
InChIInChI=1S/C4H10N2OS/c5-3-6-4(7)1-2-8/h8H,1-3,5H2,(H,6,7)
InChIKeyPHQLJWOVHCZDBF-UHFFFAOYSA-N
MW134.20 g/mol
LogP-0.66
Rot. Bonds3

About N-(aminomethyl)-3-sulfanylpropanamide

N-(aminomethyl)-3-sulfanylpropanamide (PubChem CID 117126503) has the molecular formula C4H10N2OS and a molecular weight of 134.20 g/mol. Its IUPAC name is N-(aminomethyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(aminomethyl)-3-sulfanylpropanamide
PubChem CID117126503
Molecular FormulaC4H10N2OS
Molecular Weight134.20 g/mol
Exact Mass134.05
IUPAC NameN-(aminomethyl)-3-sulfanylpropanamide
SMILESNCNC(=O)CCS
InChIInChI=1S/C4H10N2OS/c5-3-6-4(7)1-2-8/h8H,1-3,5H2,(H,6,7)
InChIKeyPHQLJWOVHCZDBF-UHFFFAOYSA-N
XLogP-0.66
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-aminoacetyl)amino]ethyl]-3-sulfanylpropanamide
CID 140976881
N-(aminomethyl)-3-thiophosphorosopropanamide
CID 118940056
N-methyl-3-sulfanylpropanamide
CID 642906
N-(aminomethyl)-2-(dimethylamino)acetamide
CID 170647333
3-[[3-(aminomethylamino)-3-oxopropyl]amino]-N-propylpropanamide
CID 155228791
N-[(3-aminocyclopentyl)methyl]-3-sulfanylpropanamide
CID 123690704
N'-(2-sulfanylethyl)butanediamide
CID 15293890
4-sulfanyl-N-(3-sulfanylpropanoyl)butanamide
CID 23568508
4-sulfanyl-N-[2-(4-sulfanylbutanoylamino)ethyl]butanamide
CID 11817935
N-[2-(3-sulfanylpropanoylamino)ethyl]cyclopropanecarboxamide
CID 107035440
N-[2-(cyclopropylamino)-2-oxoethyl]-3-sulfanylpropanamide
CID 107023146
N-(2-methyl-2-methylsulfonylpropyl)-3-sulfanylpropanamide
CID 107032221

Frequently Asked Questions

What is the IUPAC name of N-(aminomethyl)-3-sulfanylpropanamide?
The IUPAC name of N-(aminomethyl)-3-sulfanylpropanamide (CID 117126503) is N-(aminomethyl)-3-sulfanylpropanamide.
What is the SMILES notation for N-(aminomethyl)-3-sulfanylpropanamide?
The canonical SMILES for N-(aminomethyl)-3-sulfanylpropanamide is NCNC(=O)CCS.
What is the InChIKey of N-(aminomethyl)-3-sulfanylpropanamide?
The InChIKey is PHQLJWOVHCZDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2OS/c5-3-6-4(7)1-2-8/h8H,1-3,5H2,(H,6,7).
What are the key properties of N-(aminomethyl)-3-sulfanylpropanamide?
N-(aminomethyl)-3-sulfanylpropanamide has a molecular weight of 134.20 g/mol, XLogP of -0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethyl)-3-sulfanylpropanamide is sourced from PubChem (CID 117126503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).