(4-butylthiomorpholin-2-yl)methanol

C9H19NOS — CID 54444181

IUPAC(4-butylthiomorpholin-2-yl)methanol
SMILESCCCCN1CCSC(CO)C1
InChIInChI=1S/C9H19NOS/c1-2-3-4-10-5-6-12-9(7-10)8-11/h9,11H,2-8H2,1H3
InChIKeyWQHUUJUGVLZOLB-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.20
Rot. Bonds4

About (4-butylthiomorpholin-2-yl)methanol

(4-butylthiomorpholin-2-yl)methanol (PubChem CID 54444181) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is (4-butylthiomorpholin-2-yl)methanol.

Molecular Properties

Compound Name(4-butylthiomorpholin-2-yl)methanol
PubChem CID54444181
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name(4-butylthiomorpholin-2-yl)methanol
SMILESCCCCN1CCSC(CO)C1
InChIInChI=1S/C9H19NOS/c1-2-3-4-10-5-6-12-9(7-10)8-11/h9,11H,2-8H2,1H3
InChIKeyWQHUUJUGVLZOLB-UHFFFAOYSA-N
XLogP1.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-butylthiomorpholin-2-yl)methanol?
The IUPAC name of (4-butylthiomorpholin-2-yl)methanol (CID 54444181) is (4-butylthiomorpholin-2-yl)methanol.
What is the SMILES notation for (4-butylthiomorpholin-2-yl)methanol?
The canonical SMILES for (4-butylthiomorpholin-2-yl)methanol is CCCCN1CCSC(CO)C1.
What is the InChIKey of (4-butylthiomorpholin-2-yl)methanol?
The InChIKey is WQHUUJUGVLZOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-2-3-4-10-5-6-12-9(7-10)8-11/h9,11H,2-8H2,1H3.
What are the key properties of (4-butylthiomorpholin-2-yl)methanol?
(4-butylthiomorpholin-2-yl)methanol has a molecular weight of 189.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylthiomorpholin-2-yl)methanol is sourced from PubChem (CID 54444181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).