5-piperidin-1-ylsulfonyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyridin-2-amine

C21H29N3O5S — CID 55827922

IUPAC5-piperidin-1-ylsulfonyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyridin-2-amine
SMILESCOc1cc(C(C)Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc(OC)c1OC
InChIInChI=1S/C21H29N3O5S/c1-15(16-12-18(27-2)21(29-4)19(13-16)28-3)23-20-9-8-17(14-22-20)30(25,26)24-10-6-5-7-11-24/h8-9,12-15H,5-7,10-11H2,1-4H3,(H,22,23)
InChIKeySNMSFZGPBAXDMV-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.46
Rot. Bonds8

About 5-piperidin-1-ylsulfonyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyridin-2-amine

5-piperidin-1-ylsulfonyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyridin-2-amine (PubChem CID 55827922) has the molecular formula C21H29N3O5S and a molecular weight of 435.55 g/mol. Its IUPAC name is 5-piperidin-1-ylsulfonyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-piperidin-1-ylsulfonyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyridin-2-amine
PubChem CID55827922
Molecular FormulaC21H29N3O5S
Molecular Weight435.55 g/mol
Exact Mass435.18
IUPAC Name5-piperidin-1-ylsulfonyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyridin-2-amine
SMILESCOc1cc(C(C)Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc(OC)c1OC
InChIInChI=1S/C21H29N3O5S/c1-15(16-12-18(27-2)21(29-4)19(13-16)28-3)23-20-9-8-17(14-22-20)30(25,26)24-10-6-5-7-11-24/h8-9,12-15H,5-7,10-11H2,1-4H3,(H,22,23)
InChIKeySNMSFZGPBAXDMV-UHFFFAOYSA-N
XLogP3.46
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-methoxy-4-[1-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol
CID 55829206
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133350405
N-[1-(4-propan-2-ylsulfanylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133287490
N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133291954
2-[2-methoxy-4-[1-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol
CID 55829205
N-[1-(3,4-difluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 84929926
5-morpholin-4-ylsulfonyl-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 9211241
(2S)-4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]pentanoic acid
CID 122050256
(2R)-4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]pentanoic acid
CID 122049069
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133350387
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133477635

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-ylsulfonyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyridin-2-amine?
The IUPAC name of 5-piperidin-1-ylsulfonyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyridin-2-amine (CID 55827922) is 5-piperidin-1-ylsulfonyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-piperidin-1-ylsulfonyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-piperidin-1-ylsulfonyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyridin-2-amine is COc1cc(C(C)Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc(OC)c1OC.
What is the InChIKey of 5-piperidin-1-ylsulfonyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyridin-2-amine?
The InChIKey is SNMSFZGPBAXDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5S/c1-15(16-12-18(27-2)21(29-4)19(13-16)28-3)23-20-9-8-17(14-22-20)30(25,26)24-10-6-5-7-11-24/h8-9,12-15H,5-7,10-11H2,1-4H3,(H,22,23).
What are the key properties of 5-piperidin-1-ylsulfonyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyridin-2-amine?
5-piperidin-1-ylsulfonyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyridin-2-amine has a molecular weight of 435.55 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-ylsulfonyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 55827922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).