1-(thian-2-yl)propan-2-amine

C8H17NS — CID 84650954

IUPAC1-(thian-2-yl)propan-2-amine
SMILESCC(N)CC1CCCCS1
InChIInChI=1S/C8H17NS/c1-7(9)6-8-4-2-3-5-10-8/h7-8H,2-6,9H2,1H3
InChIKeyANEMXYKRQKKPAN-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.01
Rot. Bonds2

About 1-(thian-2-yl)propan-2-amine

1-(thian-2-yl)propan-2-amine (PubChem CID 84650954) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 1-(thian-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(thian-2-yl)propan-2-amine
PubChem CID84650954
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name1-(thian-2-yl)propan-2-amine
SMILESCC(N)CC1CCCCS1
InChIInChI=1S/C8H17NS/c1-7(9)6-8-4-2-3-5-10-8/h7-8H,2-6,9H2,1H3
InChIKeyANEMXYKRQKKPAN-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(thian-2-yl)propan-2-amine?
The IUPAC name of 1-(thian-2-yl)propan-2-amine (CID 84650954) is 1-(thian-2-yl)propan-2-amine.
What is the SMILES notation for 1-(thian-2-yl)propan-2-amine?
The canonical SMILES for 1-(thian-2-yl)propan-2-amine is CC(N)CC1CCCCS1.
What is the InChIKey of 1-(thian-2-yl)propan-2-amine?
The InChIKey is ANEMXYKRQKKPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-7(9)6-8-4-2-3-5-10-8/h7-8H,2-6,9H2,1H3.
What are the key properties of 1-(thian-2-yl)propan-2-amine?
1-(thian-2-yl)propan-2-amine has a molecular weight of 159.30 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thian-2-yl)propan-2-amine is sourced from PubChem (CID 84650954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).