1-amino-N-(2-methylsulfanylethyl)cyclopropane-1-carboxamide

C7H14N2OS — CID 65457024

IUPAC1-amino-N-(2-methylsulfanylethyl)cyclopropane-1-carboxamide
SMILESCSCCNC(=O)C1(N)CC1
InChIInChI=1S/C7H14N2OS/c1-11-5-4-9-6(10)7(8)2-3-7/h2-5,8H2,1H3,(H,9,10)
InChIKeyHENKVCDCGWBJHU-UHFFFAOYSA-N
MW174.27 g/mol
LogP-0.04
Rot. Bonds4

About 1-amino-N-(2-methylsulfanylethyl)cyclopropane-1-carboxamide

1-amino-N-(2-methylsulfanylethyl)cyclopropane-1-carboxamide (PubChem CID 65457024) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is 1-amino-N-(2-methylsulfanylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-methylsulfanylethyl)cyclopropane-1-carboxamide
PubChem CID65457024
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name1-amino-N-(2-methylsulfanylethyl)cyclopropane-1-carboxamide
SMILESCSCCNC(=O)C1(N)CC1
InChIInChI=1S/C7H14N2OS/c1-11-5-4-9-6(10)7(8)2-3-7/h2-5,8H2,1H3,(H,9,10)
InChIKeyHENKVCDCGWBJHU-UHFFFAOYSA-N
XLogP-0.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-methylsulfanylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-methylsulfanylethyl)cyclopropane-1-carboxamide (CID 65457024) is 1-amino-N-(2-methylsulfanylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-methylsulfanylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-methylsulfanylethyl)cyclopropane-1-carboxamide is CSCCNC(=O)C1(N)CC1.
What is the InChIKey of 1-amino-N-(2-methylsulfanylethyl)cyclopropane-1-carboxamide?
The InChIKey is HENKVCDCGWBJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-11-5-4-9-6(10)7(8)2-3-7/h2-5,8H2,1H3,(H,9,10).
What are the key properties of 1-amino-N-(2-methylsulfanylethyl)cyclopropane-1-carboxamide?
1-amino-N-(2-methylsulfanylethyl)cyclopropane-1-carboxamide has a molecular weight of 174.27 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-methylsulfanylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 65457024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).