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

C10H19NOS — CID 61338367

IUPAC[4-(cyclopropylmethylamino)thian-4-yl]methanol
SMILESOCC1(NCC2CC2)CCSCC1
InChIInChI=1S/C10H19NOS/c12-8-10(3-5-13-6-4-10)11-7-9-1-2-9/h9,11-12H,1-8H2
InChIKeyWEZHMLCDYZVYSS-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.24
Rot. Bonds4

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

[4-(cyclopropylmethylamino)thian-4-yl]methanol (PubChem CID 61338367) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)thian-4-yl]methanol.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)thian-4-yl]methanol
PubChem CID61338367
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name[4-(cyclopropylmethylamino)thian-4-yl]methanol
SMILESOCC1(NCC2CC2)CCSCC1
InChIInChI=1S/C10H19NOS/c12-8-10(3-5-13-6-4-10)11-7-9-1-2-9/h9,11-12H,1-8H2
InChIKeyWEZHMLCDYZVYSS-UHFFFAOYSA-N
XLogP1.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
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-(cyclopropylmethylamino)thian-4-yl]methanol?
The IUPAC name of [4-(cyclopropylmethylamino)thian-4-yl]methanol (CID 61338367) is [4-(cyclopropylmethylamino)thian-4-yl]methanol.
What is the SMILES notation for [4-(cyclopropylmethylamino)thian-4-yl]methanol?
The canonical SMILES for [4-(cyclopropylmethylamino)thian-4-yl]methanol is OCC1(NCC2CC2)CCSCC1.
What is the InChIKey of [4-(cyclopropylmethylamino)thian-4-yl]methanol?
The InChIKey is WEZHMLCDYZVYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c12-8-10(3-5-13-6-4-10)11-7-9-1-2-9/h9,11-12H,1-8H2.
What are the key properties of [4-(cyclopropylmethylamino)thian-4-yl]methanol?
[4-(cyclopropylmethylamino)thian-4-yl]methanol has a molecular weight of 201.33 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-(cyclopropylmethylamino)thian-4-yl]methanol is sourced from PubChem (CID 61338367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).