N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine

C20H25N3O3S — CID 133293402

IUPACN-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NCC2CCOc3ccccc32)nc1)N1CCCCC1
InChIInChI=1S/C20H25N3O3S/c24-27(25,23-11-4-1-5-12-23)17-8-9-20(22-15-17)21-14-16-10-13-26-19-7-3-2-6-18(16)19/h2-3,6-9,15-16H,1,4-5,10-14H2,(H,21,22)
InChIKeyYKHYKIIOCXVHDC-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.23
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine (PubChem CID 133293402) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
PubChem CID133293402
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NCC2CCOc3ccccc32)nc1)N1CCCCC1
InChIInChI=1S/C20H25N3O3S/c24-27(25,23-11-4-1-5-12-23)17-8-9-20(22-15-17)21-14-16-10-13-26-19-7-3-2-6-18(16)19/h2-3,6-9,15-16H,1,4-5,10-14H2,(H,21,22)
InChIKeyYKHYKIIOCXVHDC-UHFFFAOYSA-N
XLogP3.23
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156
N-(2-cyclopentylethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 55566148
5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine
CID 9251897
2-[4-[[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol
CID 133281384
N-[(1-methylpiperidin-3-yl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133430518
N-(2-cycloheptyloxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133308701
1-phenyl-2-(5-piperidin-1-ylsulfonyl-2-pyridinyl)hydrazine
CID 5267961
5-piperidin-1-ylsulfonyl-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 133280931
N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268149
2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 8567255
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9245623
N-(2-morpholin-4-yl-1-phenylethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 55431899

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine (CID 133293402) is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine is O=S(=O)(c1ccc(NCC2CCOc3ccccc32)nc1)N1CCCCC1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is YKHYKIIOCXVHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c24-27(25,23-11-4-1-5-12-23)17-8-9-20(22-15-17)21-14-16-10-13-26-19-7-3-2-6-18(16)19/h2-3,6-9,15-16H,1,4-5,10-14H2,(H,21,22).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine?
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 387.51 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 133293402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).