(7-thiomorpholin-4-ylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol

C14H20N2O3S2 — CID 11209657

IUPAC(7-thiomorpholin-4-ylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
SMILESO=S(=O)(c1ccc2c(c1)CNC(CO)C2)N1CCSCC1
InChIInChI=1S/C14H20N2O3S2/c17-10-13-7-11-1-2-14(8-12(11)9-15-13)21(18,19)16-3-5-20-6-4-16/h1-2,8,13,15,17H,3-7,9-10H2
InChIKeyQKBLBMYBVMKWON-UHFFFAOYSA-N
MW328.46 g/mol
LogP0.43
Rot. Bonds3

About (7-thiomorpholin-4-ylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol

(7-thiomorpholin-4-ylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol (PubChem CID 11209657) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (7-thiomorpholin-4-ylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol.

Molecular Properties

Compound Name(7-thiomorpholin-4-ylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
PubChem CID11209657
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC Name(7-thiomorpholin-4-ylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
SMILESO=S(=O)(c1ccc2c(c1)CNC(CO)C2)N1CCSCC1
InChIInChI=1S/C14H20N2O3S2/c17-10-13-7-11-1-2-14(8-12(11)9-15-13)21(18,19)16-3-5-20-6-4-16/h1-2,8,13,15,17H,3-7,9-10H2
InChIKeyQKBLBMYBVMKWON-UHFFFAOYSA-N
XLogP0.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7-thiomorpholin-4-ylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol?
The IUPAC name of (7-thiomorpholin-4-ylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol (CID 11209657) is (7-thiomorpholin-4-ylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol.
What is the SMILES notation for (7-thiomorpholin-4-ylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol?
The canonical SMILES for (7-thiomorpholin-4-ylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol is O=S(=O)(c1ccc2c(c1)CNC(CO)C2)N1CCSCC1.
What is the InChIKey of (7-thiomorpholin-4-ylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol?
The InChIKey is QKBLBMYBVMKWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S2/c17-10-13-7-11-1-2-14(8-12(11)9-15-13)21(18,19)16-3-5-20-6-4-16/h1-2,8,13,15,17H,3-7,9-10H2.
What are the key properties of (7-thiomorpholin-4-ylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol?
(7-thiomorpholin-4-ylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol has a molecular weight of 328.46 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-thiomorpholin-4-ylsulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol is sourced from PubChem (CID 11209657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).