N-[5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]-2-pyridinyl]cyclopropanesulfonamide

C22H29N3O3S2 — CID 169139569

IUPACN-[5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]-2-pyridinyl]cyclopropanesulfonamide
SMILESCCc1cc2c(s1)CCOC21CCN(Cc2ccc(NS(=O)(=O)C3CC3)nc2)CC1
InChIInChI=1S/C22H29N3O3S2/c1-2-17-13-19-20(29-17)7-12-28-22(19)8-10-25(11-9-22)15-16-3-6-21(23-14-16)24-30(26,27)18-4-5-18/h3,6,13-14,18H,2,4-5,7-12,15H2,1H3,(H,23,24)
InChIKeyVTWMMBICQQVUSE-UHFFFAOYSA-N
MW447.63 g/mol
LogP3.67
Rot. Bonds6

About N-[5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]-2-pyridinyl]cyclopropanesulfonamide

N-[5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]-2-pyridinyl]cyclopropanesulfonamide (PubChem CID 169139569) has the molecular formula C22H29N3O3S2 and a molecular weight of 447.63 g/mol. Its IUPAC name is N-[5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]-2-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]-2-pyridinyl]cyclopropanesulfonamide
PubChem CID169139569
Molecular FormulaC22H29N3O3S2
Molecular Weight447.63 g/mol
Exact Mass447.17
IUPAC NameN-[5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]-2-pyridinyl]cyclopropanesulfonamide
SMILESCCc1cc2c(s1)CCOC21CCN(Cc2ccc(NS(=O)(=O)C3CC3)nc2)CC1
InChIInChI=1S/C22H29N3O3S2/c1-2-17-13-19-20(29-17)7-12-28-22(19)8-10-25(11-9-22)15-16-3-6-21(23-14-16)24-30(26,27)18-4-5-18/h3,6,13-14,18H,2,4-5,7-12,15H2,1H3,(H,23,24)
InChIKeyVTWMMBICQQVUSE-UHFFFAOYSA-N
XLogP3.67
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.63
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]-2-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]-2-pyridinyl]cyclopropanesulfonamide (CID 169139569) is N-[5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]-2-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]-2-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]-2-pyridinyl]cyclopropanesulfonamide is CCc1cc2c(s1)CCOC21CCN(Cc2ccc(NS(=O)(=O)C3CC3)nc2)CC1.
What is the InChIKey of N-[5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]-2-pyridinyl]cyclopropanesulfonamide?
The InChIKey is VTWMMBICQQVUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S2/c1-2-17-13-19-20(29-17)7-12-28-22(19)8-10-25(11-9-22)15-16-3-6-21(23-14-16)24-30(26,27)18-4-5-18/h3,6,13-14,18H,2,4-5,7-12,15H2,1H3,(H,23,24).
What are the key properties of N-[5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]-2-pyridinyl]cyclopropanesulfonamide?
N-[5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]-2-pyridinyl]cyclopropanesulfonamide has a molecular weight of 447.63 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]-2-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 169139569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).