N-ethyl-6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine

C12H16N2O2S2 — CID 82549051

IUPACN-ethyl-6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine
SMILESCCNc1nc2ccc(S(=O)(=O)C(C)C)cc2s1
InChIInChI=1S/C12H16N2O2S2/c1-4-13-12-14-10-6-5-9(7-11(10)17-12)18(15,16)8(2)3/h5-8H,4H2,1-3H3,(H,13,14)
InChIKeyCVNSKIFBYRNFCU-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.91
Rot. Bonds4

About N-ethyl-6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine

N-ethyl-6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine (PubChem CID 82549051) has the molecular formula C12H16N2O2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-ethyl-6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine
PubChem CID82549051
Molecular FormulaC12H16N2O2S2
Molecular Weight284.41 g/mol
Exact Mass284.07
IUPAC NameN-ethyl-6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine
SMILESCCNc1nc2ccc(S(=O)(=O)C(C)C)cc2s1
InChIInChI=1S/C12H16N2O2S2/c1-4-13-12-14-10-6-5-9(7-11(10)17-12)18(15,16)8(2)3/h5-8H,4H2,1-3H3,(H,13,14)
InChIKeyCVNSKIFBYRNFCU-UHFFFAOYSA-N
XLogP2.91
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine
CID 82549906
N-benzyl-6-ethylsulfonyl-1,3-benzothiazol-2-amine
CID 82549061
N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838062
N-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-benzothiazole-6-carboxamide
CID 117080272
N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]acetamide
CID 3310020
N-[(3-methylphenyl)methyl]-6-methylsulfonyl-1,3-benzothiazol-2-amine
CID 110827391
ethyl 2-[(3-propan-2-ylsulfonylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 41147982
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propane-1-sulfonamide
CID 110757005
2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pentanamide
CID 3145091
N-ethyl-6-propoxy-1,3-benzothiazol-2-amine
CID 82105820
6-benzyl-N-ethyl-1,3-benzothiazol-2-amine
CID 82548714
N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-chloroacetamide
CID 3368893

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-ethyl-6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine (CID 82549051) is N-ethyl-6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-ethyl-6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-ethyl-6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine is CCNc1nc2ccc(S(=O)(=O)C(C)C)cc2s1.
What is the InChIKey of N-ethyl-6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine?
The InChIKey is CVNSKIFBYRNFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S2/c1-4-13-12-14-10-6-5-9(7-11(10)17-12)18(15,16)8(2)3/h5-8H,4H2,1-3H3,(H,13,14).
What are the key properties of N-ethyl-6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine?
N-ethyl-6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine has a molecular weight of 284.41 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82549051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).