N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanesulfonamide

C10H16N2O2S2 — CID 22201662

IUPACN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nc2c(s1)CC(C)CC2
InChIInChI=1S/C10H16N2O2S2/c1-3-16(13,14)12-10-11-8-5-4-7(2)6-9(8)15-10/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyBBDSDZVNLNXVQC-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.03
Rot. Bonds3

About N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanesulfonamide

N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanesulfonamide (PubChem CID 22201662) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanesulfonamide
PubChem CID22201662
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC NameN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nc2c(s1)CC(C)CC2
InChIInChI=1S/C10H16N2O2S2/c1-3-16(13,14)12-10-11-8-5-4-7(2)6-9(8)15-10/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyBBDSDZVNLNXVQC-UHFFFAOYSA-N
XLogP2.03
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-phenylmethoxyethanesulfonamide
CID 91956313
N,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 62943290
4-ethoxy-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 22201632
5-bromo-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 22201655
2,5-difluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 22201648
6-methyl-N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 130557486
3-amino-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 119689310
3-ethylsulfonyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 43981130
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide
CID 119271144
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 47199587
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide
CID 5173800
1-methylsulfonyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide
CID 82842459

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanesulfonamide?
The IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanesulfonamide (CID 22201662) is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanesulfonamide.
What is the SMILES notation for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanesulfonamide?
The canonical SMILES for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanesulfonamide is CCS(=O)(=O)Nc1nc2c(s1)CC(C)CC2.
What is the InChIKey of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanesulfonamide?
The InChIKey is BBDSDZVNLNXVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S2/c1-3-16(13,14)12-10-11-8-5-4-7(2)6-9(8)15-10/h7H,3-6H2,1-2H3,(H,11,12).
What are the key properties of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanesulfonamide?
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanesulfonamide has a molecular weight of 260.38 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanesulfonamide is sourced from PubChem (CID 22201662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).