(1-ethylsulfanylcyclopropyl)methanamine

C6H13NS — CID 65130659

IUPAC(1-ethylsulfanylcyclopropyl)methanamine
SMILESCCSC1(CN)CC1
InChIInChI=1S/C6H13NS/c1-2-8-6(5-7)3-4-6/h2-5,7H2,1H3
InChIKeyCUMYFCXUUNUNNB-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.23
Rot. Bonds3

About (1-ethylsulfanylcyclopropyl)methanamine

(1-ethylsulfanylcyclopropyl)methanamine (PubChem CID 65130659) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is (1-ethylsulfanylcyclopropyl)methanamine.

Molecular Properties

Compound Name(1-ethylsulfanylcyclopropyl)methanamine
PubChem CID65130659
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name(1-ethylsulfanylcyclopropyl)methanamine
SMILESCCSC1(CN)CC1
InChIInChI=1S/C6H13NS/c1-2-8-6(5-7)3-4-6/h2-5,7H2,1H3
InChIKeyCUMYFCXUUNUNNB-UHFFFAOYSA-N
XLogP1.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-ethylsulfanylcyclopropyl)methanamine?
The IUPAC name of (1-ethylsulfanylcyclopropyl)methanamine (CID 65130659) is (1-ethylsulfanylcyclopropyl)methanamine.
What is the SMILES notation for (1-ethylsulfanylcyclopropyl)methanamine?
The canonical SMILES for (1-ethylsulfanylcyclopropyl)methanamine is CCSC1(CN)CC1.
What is the InChIKey of (1-ethylsulfanylcyclopropyl)methanamine?
The InChIKey is CUMYFCXUUNUNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-2-8-6(5-7)3-4-6/h2-5,7H2,1H3.
What are the key properties of (1-ethylsulfanylcyclopropyl)methanamine?
(1-ethylsulfanylcyclopropyl)methanamine has a molecular weight of 131.24 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylsulfanylcyclopropyl)methanamine is sourced from PubChem (CID 65130659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).