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

C7H15NOS — CID 68970829

IUPAC[4-(aminomethyl)thian-4-yl]methanol
SMILESNCC1(CO)CCSCC1
InChIInChI=1S/C7H15NOS/c8-5-7(6-9)1-3-10-4-2-7/h9H,1-6,8H2
InChIKeyUFTDKYWOWFSRDR-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.45
Rot. Bonds2

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

[4-(aminomethyl)thian-4-yl]methanol (PubChem CID 68970829) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is [4-(aminomethyl)thian-4-yl]methanol.

Molecular Properties

Compound Name[4-(aminomethyl)thian-4-yl]methanol
PubChem CID68970829
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name[4-(aminomethyl)thian-4-yl]methanol
SMILESNCC1(CO)CCSCC1
InChIInChI=1S/C7H15NOS/c8-5-7(6-9)1-3-10-4-2-7/h9H,1-6,8H2
InChIKeyUFTDKYWOWFSRDR-UHFFFAOYSA-N
XLogP0.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)thian-4-yl]methanol?
The IUPAC name of [4-(aminomethyl)thian-4-yl]methanol (CID 68970829) is [4-(aminomethyl)thian-4-yl]methanol.
What is the SMILES notation for [4-(aminomethyl)thian-4-yl]methanol?
The canonical SMILES for [4-(aminomethyl)thian-4-yl]methanol is NCC1(CO)CCSCC1.
What is the InChIKey of [4-(aminomethyl)thian-4-yl]methanol?
The InChIKey is UFTDKYWOWFSRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c8-5-7(6-9)1-3-10-4-2-7/h9H,1-6,8H2.
What are the key properties of [4-(aminomethyl)thian-4-yl]methanol?
[4-(aminomethyl)thian-4-yl]methanol has a molecular weight of 161.27 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)thian-4-yl]methanol is sourced from PubChem (CID 68970829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).