N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]methanesulfonamide

C10H16N2O2S2 — CID 97211671

IUPACN-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1nc2c(s1)CCCC2
InChIInChI=1S/C10H16N2O2S2/c1-16(13,14)11-7-6-10-12-8-4-2-3-5-9(8)15-10/h11H,2-7H2,1H3
InChIKeyVACWICYSHJGUQN-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.11
Rot. Bonds4

About N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]methanesulfonamide

N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]methanesulfonamide (PubChem CID 97211671) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]methanesulfonamide
PubChem CID97211671
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC NameN-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1nc2c(s1)CCCC2
InChIInChI=1S/C10H16N2O2S2/c1-16(13,14)11-7-6-10-12-8-4-2-3-5-9(8)15-10/h11H,2-7H2,1H3
InChIKeyVACWICYSHJGUQN-UHFFFAOYSA-N
XLogP1.11
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]methanesulfonamide (CID 97211671) is N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]methanesulfonamide is CS(=O)(=O)NCCc1nc2c(s1)CCCC2.
What is the InChIKey of N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]methanesulfonamide?
The InChIKey is VACWICYSHJGUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S2/c1-16(13,14)11-7-6-10-12-8-4-2-3-5-9(8)15-10/h11H,2-7H2,1H3.
What are the key properties of N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]methanesulfonamide?
N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]methanesulfonamide has a molecular weight of 260.38 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 97211671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).