1-(thian-4-yl)propan-1-amine

C8H17NS — CID 68521372

IUPAC1-(thian-4-yl)propan-1-amine
SMILESCCC(N)C1CCSCC1
InChIInChI=1S/C8H17NS/c1-2-8(9)7-3-5-10-6-4-7/h7-8H,2-6,9H2,1H3
InChIKeyIYDMDXUSJOESDI-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.87
Rot. Bonds2

About 1-(thian-4-yl)propan-1-amine

1-(thian-4-yl)propan-1-amine (PubChem CID 68521372) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 1-(thian-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(thian-4-yl)propan-1-amine
PubChem CID68521372
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name1-(thian-4-yl)propan-1-amine
SMILESCCC(N)C1CCSCC1
InChIInChI=1S/C8H17NS/c1-2-8(9)7-3-5-10-6-4-7/h7-8H,2-6,9H2,1H3
InChIKeyIYDMDXUSJOESDI-UHFFFAOYSA-N
XLogP1.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(thian-4-yl)propan-1-amine?
The IUPAC name of 1-(thian-4-yl)propan-1-amine (CID 68521372) is 1-(thian-4-yl)propan-1-amine.
What is the SMILES notation for 1-(thian-4-yl)propan-1-amine?
The canonical SMILES for 1-(thian-4-yl)propan-1-amine is CCC(N)C1CCSCC1.
What is the InChIKey of 1-(thian-4-yl)propan-1-amine?
The InChIKey is IYDMDXUSJOESDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-2-8(9)7-3-5-10-6-4-7/h7-8H,2-6,9H2,1H3.
What are the key properties of 1-(thian-4-yl)propan-1-amine?
1-(thian-4-yl)propan-1-amine has a molecular weight of 159.30 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thian-4-yl)propan-1-amine is sourced from PubChem (CID 68521372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).