1-cyclobutyl-N-ethylsulfanylmethanamine

C7H15NS — CID 155095485

IUPAC1-cyclobutyl-N-ethylsulfanylmethanamine
SMILESCCSNCC1CCC1
InChIInChI=1S/C7H15NS/c1-2-9-8-6-7-4-3-5-7/h7-8H,2-6H2,1H3
InChIKeyXJKSGKHSAPGLQS-UHFFFAOYSA-N
MW145.27 g/mol
LogP2.04
Rot. Bonds4

About 1-cyclobutyl-N-ethylsulfanylmethanamine

1-cyclobutyl-N-ethylsulfanylmethanamine (PubChem CID 155095485) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 1-cyclobutyl-N-ethylsulfanylmethanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-ethylsulfanylmethanamine
PubChem CID155095485
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name1-cyclobutyl-N-ethylsulfanylmethanamine
SMILESCCSNCC1CCC1
InChIInChI=1S/C7H15NS/c1-2-9-8-6-7-4-3-5-7/h7-8H,2-6H2,1H3
InChIKeyXJKSGKHSAPGLQS-UHFFFAOYSA-N
XLogP2.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-ethylsulfanylmethanamine?
The IUPAC name of 1-cyclobutyl-N-ethylsulfanylmethanamine (CID 155095485) is 1-cyclobutyl-N-ethylsulfanylmethanamine.
What is the SMILES notation for 1-cyclobutyl-N-ethylsulfanylmethanamine?
The canonical SMILES for 1-cyclobutyl-N-ethylsulfanylmethanamine is CCSNCC1CCC1.
What is the InChIKey of 1-cyclobutyl-N-ethylsulfanylmethanamine?
The InChIKey is XJKSGKHSAPGLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-2-9-8-6-7-4-3-5-7/h7-8H,2-6H2,1H3.
What are the key properties of 1-cyclobutyl-N-ethylsulfanylmethanamine?
1-cyclobutyl-N-ethylsulfanylmethanamine has a molecular weight of 145.27 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-ethylsulfanylmethanamine is sourced from PubChem (CID 155095485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).