(4-cyclobutylthian-3-yl)methanamine

C10H19NS — CID 84769832

IUPAC(4-cyclobutylthian-3-yl)methanamine
SMILESNCC1CSCCC1C1CCC1
InChIInChI=1S/C10H19NS/c11-6-9-7-12-5-4-10(9)8-2-1-3-8/h8-10H,1-7,11H2
InChIKeyLJUGLDCUSVDYDR-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.11
Rot. Bonds2

About (4-cyclobutylthian-3-yl)methanamine

(4-cyclobutylthian-3-yl)methanamine (PubChem CID 84769832) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is (4-cyclobutylthian-3-yl)methanamine.

Molecular Properties

Compound Name(4-cyclobutylthian-3-yl)methanamine
PubChem CID84769832
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name(4-cyclobutylthian-3-yl)methanamine
SMILESNCC1CSCCC1C1CCC1
InChIInChI=1S/C10H19NS/c11-6-9-7-12-5-4-10(9)8-2-1-3-8/h8-10H,1-7,11H2
InChIKeyLJUGLDCUSVDYDR-UHFFFAOYSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylthian-3-yl)methanamine?
The IUPAC name of (4-cyclobutylthian-3-yl)methanamine (CID 84769832) is (4-cyclobutylthian-3-yl)methanamine.
What is the SMILES notation for (4-cyclobutylthian-3-yl)methanamine?
The canonical SMILES for (4-cyclobutylthian-3-yl)methanamine is NCC1CSCCC1C1CCC1.
What is the InChIKey of (4-cyclobutylthian-3-yl)methanamine?
The InChIKey is LJUGLDCUSVDYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c11-6-9-7-12-5-4-10(9)8-2-1-3-8/h8-10H,1-7,11H2.
What are the key properties of (4-cyclobutylthian-3-yl)methanamine?
(4-cyclobutylthian-3-yl)methanamine has a molecular weight of 185.34 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylthian-3-yl)methanamine is sourced from PubChem (CID 84769832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).