2-(1,3-benzothiazol-2-ylamino)-N-(cyclobutylmethyl)ethanesulfonamide

C14H19N3O2S2 — CID 133295840

IUPAC2-(1,3-benzothiazol-2-ylamino)-N-(cyclobutylmethyl)ethanesulfonamide
SMILESO=S(=O)(CCNc1nc2ccccc2s1)NCC1CCC1
InChIInChI=1S/C14H19N3O2S2/c18-21(19,16-10-11-4-3-5-11)9-8-15-14-17-12-6-1-2-7-13(12)20-14/h1-2,6-7,11,16H,3-5,8-10H2,(H,15,17)
InChIKeyNOSUCBWOUBDVLX-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.43
Rot. Bonds7

About 2-(1,3-benzothiazol-2-ylamino)-N-(cyclobutylmethyl)ethanesulfonamide

2-(1,3-benzothiazol-2-ylamino)-N-(cyclobutylmethyl)ethanesulfonamide (PubChem CID 133295840) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylamino)-N-(cyclobutylmethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylamino)-N-(cyclobutylmethyl)ethanesulfonamide
PubChem CID133295840
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name2-(1,3-benzothiazol-2-ylamino)-N-(cyclobutylmethyl)ethanesulfonamide
SMILESO=S(=O)(CCNc1nc2ccccc2s1)NCC1CCC1
InChIInChI=1S/C14H19N3O2S2/c18-21(19,16-10-11-4-3-5-11)9-8-15-14-17-12-6-1-2-7-13(12)20-14/h1-2,6-7,11,16H,3-5,8-10H2,(H,15,17)
InChIKeyNOSUCBWOUBDVLX-UHFFFAOYSA-N
XLogP2.43
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 12741817
N-(oxan-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 47292416
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 121108365
1-(1,3-benzothiazol-2-yl)-3-[[(1R,3R)-3-[(1,3-benzothiazol-2-ylcarbamoylamino)methyl]cyclohexyl]methyl]urea
CID 27190983
N-[(3-aminocyclobutyl)methyl]-1,3-benzothiazol-2-amine
CID 66005217
2-(1,3-benzothiazol-2-ylamino)ethanethiol;hydrochloride
CID 44537905
N-(3-pyrrolidin-1-ylpropyl)-1,3-benzothiazol-2-amine
CID 60666991
N-[(3-aminocyclopentyl)methyl]-1,3-benzothiazol-2-amine
CID 114146982
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-N'-(4-cyclopentyloxyphenyl)oxamide
CID 47044394
N-(1,3-benzothiazol-2-yl)propane-1-sulfonamide
CID 60640584
N-(1,3-benzothiazol-2-yl)-2-cyclohexylacetamide
CID 806702
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3,3-dimethylbutanamide
CID 47165966

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylamino)-N-(cyclobutylmethyl)ethanesulfonamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylamino)-N-(cyclobutylmethyl)ethanesulfonamide (CID 133295840) is 2-(1,3-benzothiazol-2-ylamino)-N-(cyclobutylmethyl)ethanesulfonamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylamino)-N-(cyclobutylmethyl)ethanesulfonamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylamino)-N-(cyclobutylmethyl)ethanesulfonamide is O=S(=O)(CCNc1nc2ccccc2s1)NCC1CCC1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylamino)-N-(cyclobutylmethyl)ethanesulfonamide?
The InChIKey is NOSUCBWOUBDVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c18-21(19,16-10-11-4-3-5-11)9-8-15-14-17-12-6-1-2-7-13(12)20-14/h1-2,6-7,11,16H,3-5,8-10H2,(H,15,17).
What are the key properties of 2-(1,3-benzothiazol-2-ylamino)-N-(cyclobutylmethyl)ethanesulfonamide?
2-(1,3-benzothiazol-2-ylamino)-N-(cyclobutylmethyl)ethanesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylamino)-N-(cyclobutylmethyl)ethanesulfonamide is sourced from PubChem (CID 133295840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).