(4-propan-2-ylthiomorpholin-2-yl)methanol

C8H17NOS — CID 172588460

IUPAC(4-propan-2-ylthiomorpholin-2-yl)methanol
SMILESCC(C)N1CCSC(CO)C1
InChIInChI=1S/C8H17NOS/c1-7(2)9-3-4-11-8(5-9)6-10/h7-8,10H,3-6H2,1-2H3
InChIKeyIBCMZQUVNWJAMQ-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.80
Rot. Bonds2

About (4-propan-2-ylthiomorpholin-2-yl)methanol

(4-propan-2-ylthiomorpholin-2-yl)methanol (PubChem CID 172588460) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is (4-propan-2-ylthiomorpholin-2-yl)methanol.

Molecular Properties

Compound Name(4-propan-2-ylthiomorpholin-2-yl)methanol
PubChem CID172588460
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name(4-propan-2-ylthiomorpholin-2-yl)methanol
SMILESCC(C)N1CCSC(CO)C1
InChIInChI=1S/C8H17NOS/c1-7(2)9-3-4-11-8(5-9)6-10/h7-8,10H,3-6H2,1-2H3
InChIKeyIBCMZQUVNWJAMQ-UHFFFAOYSA-N
XLogP0.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylthiomorpholin-2-yl)methanol?
The IUPAC name of (4-propan-2-ylthiomorpholin-2-yl)methanol (CID 172588460) is (4-propan-2-ylthiomorpholin-2-yl)methanol.
What is the SMILES notation for (4-propan-2-ylthiomorpholin-2-yl)methanol?
The canonical SMILES for (4-propan-2-ylthiomorpholin-2-yl)methanol is CC(C)N1CCSC(CO)C1.
What is the InChIKey of (4-propan-2-ylthiomorpholin-2-yl)methanol?
The InChIKey is IBCMZQUVNWJAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-7(2)9-3-4-11-8(5-9)6-10/h7-8,10H,3-6H2,1-2H3.
What are the key properties of (4-propan-2-ylthiomorpholin-2-yl)methanol?
(4-propan-2-ylthiomorpholin-2-yl)methanol has a molecular weight of 175.30 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylthiomorpholin-2-yl)methanol is sourced from PubChem (CID 172588460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).