1,1-dioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine

C14H19N3O2S — CID 63304311

IUPAC1,1-dioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine
SMILESCCCN(C1=NS(=O)(=O)c2ccccc21)C1CCNC1
InChIInChI=1S/C14H19N3O2S/c1-2-9-17(11-7-8-15-10-11)14-12-5-3-4-6-13(12)20(18,19)16-14/h3-6,11,15H,2,7-10H2,1H3
InChIKeyMRHLWDMDNVLNRA-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.21
Rot. Bonds3

About 1,1-dioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine

1,1-dioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine (PubChem CID 63304311) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1,1-dioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine
PubChem CID63304311
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name1,1-dioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine
SMILESCCCN(C1=NS(=O)(=O)c2ccccc21)C1CCNC1
InChIInChI=1S/C14H19N3O2S/c1-2-9-17(11-7-8-15-10-11)14-12-5-3-4-6-13(12)20(18,19)16-14/h3-6,11,15H,2,7-10H2,1H3
InChIKeyMRHLWDMDNVLNRA-UHFFFAOYSA-N
XLogP1.21
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119530404
4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119552915
4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-methyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 119443268
3-methyl-N-propyl-N-pyrrolidin-3-ylquinoxalin-2-amine
CID 63304047
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(3-methylpiperidin-4-yl)acetamide
CID 120557109
N-(2-ethylsulfonylphenyl)-N-propylpyrrolidin-3-amine
CID 63304180
2-[propyl(pyrrolidin-3-yl)amino]benzamide
CID 63304357
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 32917313
3-pyrrolidin-3-yloxy-1,2-benzothiazole 1,1-dioxide
CID 62348780
2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 137163145
N-[2-(difluoromethylsulfonyl)phenyl]-N-propylpyrrolidin-3-amine
CID 63304136
6-chloro-N-propyl-N-pyrrolidin-3-ylpyridazin-3-amine
CID 63304490

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine?
The IUPAC name of 1,1-dioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine (CID 63304311) is 1,1-dioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine.
What is the SMILES notation for 1,1-dioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine?
The canonical SMILES for 1,1-dioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine is CCCN(C1=NS(=O)(=O)c2ccccc21)C1CCNC1.
What is the InChIKey of 1,1-dioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine?
The InChIKey is MRHLWDMDNVLNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-2-9-17(11-7-8-15-10-11)14-12-5-3-4-6-13(12)20(18,19)16-14/h3-6,11,15H,2,7-10H2,1H3.
What are the key properties of 1,1-dioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine?
1,1-dioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine has a molecular weight of 293.39 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine is sourced from PubChem (CID 63304311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).