N-propan-2-yl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-sulfonamide

C19H25N3O3S2 — CID 139010678

IUPACN-propan-2-yl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)c1cccnc1N1CCC2(CC1)OCCc1ccsc12
InChIInChI=1S/C19H25N3O3S2/c1-14(2)21-27(23,24)16-4-3-9-20-18(16)22-10-7-19(8-11-22)17-15(5-12-25-19)6-13-26-17/h3-4,6,9,13-14,21H,5,7-8,10-12H2,1-2H3
InChIKeyVMMJCBONMJBALX-UHFFFAOYSA-N
MW407.56 g/mol
LogP2.90
Rot. Bonds4

About N-propan-2-yl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-sulfonamide

N-propan-2-yl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-sulfonamide (PubChem CID 139010678) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-propan-2-yl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-sulfonamide
PubChem CID139010678
Molecular FormulaC19H25N3O3S2
Molecular Weight407.56 g/mol
Exact Mass407.13
IUPAC NameN-propan-2-yl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)c1cccnc1N1CCC2(CC1)OCCc1ccsc12
InChIInChI=1S/C19H25N3O3S2/c1-14(2)21-27(23,24)16-4-3-9-20-18(16)22-10-7-19(8-11-22)17-15(5-12-25-19)6-13-26-17/h3-4,6,9,13-14,21H,5,7-8,10-12H2,1-2H3
InChIKeyVMMJCBONMJBALX-UHFFFAOYSA-N
XLogP2.90
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-propan-2-yl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-sulfonamide with MolForge

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Related Compounds

1'-(5-tert-butyl-1,3,4-oxadiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 163310687
5,6-dimethyl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-carbonitrile
CID 135090073
6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-carbonitrile
CID 135112113
6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-2-carbonitrile
CID 135120854
(4-methyl-1,3-oxazol-5-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 163304672
1'-[(2-chlorophenyl)methylsulfonyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 164690045
N-propyl-5-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethyl)pyrimidin-2-amine
CID 135115146
1'-(6-methyl-2-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 135094594
4-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)benzenesulfonamide
CID 163309965
(2,4-dimethyl-1,3-thiazol-5-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 135095839
6-methoxy-1'-(3-methyl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 135103863
1'-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 163310489

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-sulfonamide?
The IUPAC name of N-propan-2-yl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-sulfonamide (CID 139010678) is N-propan-2-yl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-sulfonamide.
What is the SMILES notation for N-propan-2-yl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-sulfonamide?
The canonical SMILES for N-propan-2-yl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-sulfonamide is CC(C)NS(=O)(=O)c1cccnc1N1CCC2(CC1)OCCc1ccsc12.
What is the InChIKey of N-propan-2-yl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-sulfonamide?
The InChIKey is VMMJCBONMJBALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c1-14(2)21-27(23,24)16-4-3-9-20-18(16)22-10-7-19(8-11-22)17-15(5-12-25-19)6-13-26-17/h3-4,6,9,13-14,21H,5,7-8,10-12H2,1-2H3.
What are the key properties of N-propan-2-yl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-sulfonamide?
N-propan-2-yl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-sulfonamide has a molecular weight of 407.56 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-sulfonamide is sourced from PubChem (CID 139010678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).