N-(5-chloro-1,3-benzothiazol-2-yl)-1-propylsulfonylpiperidine-3-carboxamide

C16H20ClN3O3S2 — CID 86998115

IUPACN-(5-chloro-1,3-benzothiazol-2-yl)-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)Nc2nc3cc(Cl)ccc3s2)C1
InChIInChI=1S/C16H20ClN3O3S2/c1-2-8-25(22,23)20-7-3-4-11(10-20)15(21)19-16-18-13-9-12(17)5-6-14(13)24-16/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,18,19,21)
InChIKeyAVPDKFZSZQMOBD-UHFFFAOYSA-N
MW401.94 g/mol
LogP3.34
Rot. Bonds5

About N-(5-chloro-1,3-benzothiazol-2-yl)-1-propylsulfonylpiperidine-3-carboxamide

N-(5-chloro-1,3-benzothiazol-2-yl)-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 86998115) has the molecular formula C16H20ClN3O3S2 and a molecular weight of 401.94 g/mol. Its IUPAC name is N-(5-chloro-1,3-benzothiazol-2-yl)-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-benzothiazol-2-yl)-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID86998115
Molecular FormulaC16H20ClN3O3S2
Molecular Weight401.94 g/mol
Exact Mass401.06
IUPAC NameN-(5-chloro-1,3-benzothiazol-2-yl)-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)Nc2nc3cc(Cl)ccc3s2)C1
InChIInChI=1S/C16H20ClN3O3S2/c1-2-8-25(22,23)20-7-3-4-11(10-20)15(21)19-16-18-13-9-12(17)5-6-14(13)24-16/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,18,19,21)
InChIKeyAVPDKFZSZQMOBD-UHFFFAOYSA-N
XLogP3.34
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55755676
(3S)-N-(5-chloro-2-fluorophenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 51955455
(3R)-N-(3-chloro-4-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 51941069
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 133210869
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51393659
N-(3-chloro-2-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 55647082
N-[6-[(2,4-difluoro-3-methoxybenzoyl)amino]-1,3-benzothiazol-2-yl]-1-octylsulfonylpiperidine-3-carboxamide
CID 172994307
N-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide
CID 55647051
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55923041
(3R)-1-propylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 97275488
(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(1-propylsulfonylpiperidin-3-yl)methanone
CID 55760672
N-benzo[e][1,3]benzothiazol-2-yl-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 16828858

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-benzothiazol-2-yl)-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-1,3-benzothiazol-2-yl)-1-propylsulfonylpiperidine-3-carboxamide (CID 86998115) is N-(5-chloro-1,3-benzothiazol-2-yl)-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-1,3-benzothiazol-2-yl)-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-1,3-benzothiazol-2-yl)-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)Nc2nc3cc(Cl)ccc3s2)C1.
What is the InChIKey of N-(5-chloro-1,3-benzothiazol-2-yl)-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is AVPDKFZSZQMOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3S2/c1-2-8-25(22,23)20-7-3-4-11(10-20)15(21)19-16-18-13-9-12(17)5-6-14(13)24-16/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,18,19,21).
What are the key properties of N-(5-chloro-1,3-benzothiazol-2-yl)-1-propylsulfonylpiperidine-3-carboxamide?
N-(5-chloro-1,3-benzothiazol-2-yl)-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 401.94 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-benzothiazol-2-yl)-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 86998115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).