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

C13H25NOS — CID 61338167

IUPAC[4-(cycloheptylamino)thian-4-yl]methanol
SMILESOCC1(NC2CCCCCC2)CCSCC1
InChIInChI=1S/C13H25NOS/c15-11-13(7-9-16-10-8-13)14-12-5-3-1-2-4-6-12/h12,14-15H,1-11H2
InChIKeyGAYRZMKTGFSHEQ-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.56
Rot. Bonds3

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

[4-(cycloheptylamino)thian-4-yl]methanol (PubChem CID 61338167) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is [4-(cycloheptylamino)thian-4-yl]methanol.

Molecular Properties

Compound Name[4-(cycloheptylamino)thian-4-yl]methanol
PubChem CID61338167
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name[4-(cycloheptylamino)thian-4-yl]methanol
SMILESOCC1(NC2CCCCCC2)CCSCC1
InChIInChI=1S/C13H25NOS/c15-11-13(7-9-16-10-8-13)14-12-5-3-1-2-4-6-12/h12,14-15H,1-11H2
InChIKeyGAYRZMKTGFSHEQ-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(cycloheptylamino)thian-4-yl]methanol?
The IUPAC name of [4-(cycloheptylamino)thian-4-yl]methanol (CID 61338167) is [4-(cycloheptylamino)thian-4-yl]methanol.
What is the SMILES notation for [4-(cycloheptylamino)thian-4-yl]methanol?
The canonical SMILES for [4-(cycloheptylamino)thian-4-yl]methanol is OCC1(NC2CCCCCC2)CCSCC1.
What is the InChIKey of [4-(cycloheptylamino)thian-4-yl]methanol?
The InChIKey is GAYRZMKTGFSHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c15-11-13(7-9-16-10-8-13)14-12-5-3-1-2-4-6-12/h12,14-15H,1-11H2.
What are the key properties of [4-(cycloheptylamino)thian-4-yl]methanol?
[4-(cycloheptylamino)thian-4-yl]methanol has a molecular weight of 243.42 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cycloheptylamino)thian-4-yl]methanol is sourced from PubChem (CID 61338167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).