[4-(propylamino)thian-4-yl]methanol

C9H19NOS — CID 61338364

IUPAC[4-(propylamino)thian-4-yl]methanol
SMILESCCCNC1(CO)CCSCC1
InChIInChI=1S/C9H19NOS/c1-2-5-10-9(8-11)3-6-12-7-4-9/h10-11H,2-8H2,1H3
InChIKeyUKZQXQBOOIGEBV-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.24
Rot. Bonds4

About [4-(propylamino)thian-4-yl]methanol

[4-(propylamino)thian-4-yl]methanol (PubChem CID 61338364) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is [4-(propylamino)thian-4-yl]methanol.

Molecular Properties

Compound Name[4-(propylamino)thian-4-yl]methanol
PubChem CID61338364
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name[4-(propylamino)thian-4-yl]methanol
SMILESCCCNC1(CO)CCSCC1
InChIInChI=1S/C9H19NOS/c1-2-5-10-9(8-11)3-6-12-7-4-9/h10-11H,2-8H2,1H3
InChIKeyUKZQXQBOOIGEBV-UHFFFAOYSA-N
XLogP1.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(propylamino)thian-4-yl]methanol?
The IUPAC name of [4-(propylamino)thian-4-yl]methanol (CID 61338364) is [4-(propylamino)thian-4-yl]methanol.
What is the SMILES notation for [4-(propylamino)thian-4-yl]methanol?
The canonical SMILES for [4-(propylamino)thian-4-yl]methanol is CCCNC1(CO)CCSCC1.
What is the InChIKey of [4-(propylamino)thian-4-yl]methanol?
The InChIKey is UKZQXQBOOIGEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-2-5-10-9(8-11)3-6-12-7-4-9/h10-11H,2-8H2,1H3.
What are the key properties of [4-(propylamino)thian-4-yl]methanol?
[4-(propylamino)thian-4-yl]methanol has a molecular weight of 189.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(propylamino)thian-4-yl]methanol is sourced from PubChem (CID 61338364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).