(2R)-2-methoxy-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propane-1-sulfonamide

C14H24N2O3S2 — CID 129434556

IUPAC(2R)-2-methoxy-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propane-1-sulfonamide
SMILESCO[C@H](C)CS(=O)(=O)N(C)C[C@H]1CCCc2sc(C)nc21
InChIInChI=1S/C14H24N2O3S2/c1-10(19-4)9-21(17,18)16(3)8-12-6-5-7-13-14(12)15-11(2)20-13/h10,12H,5-9H2,1-4H3/t10-,12-/m1/s1
InChIKeyFVEBZLMPZLVDBR-ZYHUDNBSSA-N
MW332.49 g/mol
LogP2.17
Rot. Bonds6

About (2R)-2-methoxy-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propane-1-sulfonamide

(2R)-2-methoxy-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propane-1-sulfonamide (PubChem CID 129434556) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is (2R)-2-methoxy-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name(2R)-2-methoxy-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propane-1-sulfonamide
PubChem CID129434556
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC Name(2R)-2-methoxy-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propane-1-sulfonamide
SMILESCO[C@H](C)CS(=O)(=O)N(C)C[C@H]1CCCc2sc(C)nc21
InChIInChI=1S/C14H24N2O3S2/c1-10(19-4)9-21(17,18)16(3)8-12-6-5-7-13-14(12)15-11(2)20-13/h10,12H,5-9H2,1-4H3/t10-,12-/m1/s1
InChIKeyFVEBZLMPZLVDBR-ZYHUDNBSSA-N
XLogP2.17
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propane-1-sulfonamide?
The IUPAC name of (2R)-2-methoxy-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propane-1-sulfonamide (CID 129434556) is (2R)-2-methoxy-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propane-1-sulfonamide.
What is the SMILES notation for (2R)-2-methoxy-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propane-1-sulfonamide?
The canonical SMILES for (2R)-2-methoxy-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propane-1-sulfonamide is CO[C@H](C)CS(=O)(=O)N(C)C[C@H]1CCCc2sc(C)nc21.
What is the InChIKey of (2R)-2-methoxy-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propane-1-sulfonamide?
The InChIKey is FVEBZLMPZLVDBR-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-10(19-4)9-21(17,18)16(3)8-12-6-5-7-13-14(12)15-11(2)20-13/h10,12H,5-9H2,1-4H3/t10-,12-/m1/s1.
What are the key properties of (2R)-2-methoxy-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propane-1-sulfonamide?
(2R)-2-methoxy-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propane-1-sulfonamide has a molecular weight of 332.49 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 129434556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).