N-(cyclopropylmethyl)-6-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-sulfonamide

C17H27N3O3S — CID 126793147

IUPACN-(cyclopropylmethyl)-6-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-sulfonamide
SMILESCCC1(CO)CCCN(c2ccc(S(=O)(=O)NCC3CC3)cn2)C1
InChIInChI=1S/C17H27N3O3S/c1-2-17(13-21)8-3-9-20(12-17)16-7-6-15(11-18-16)24(22,23)19-10-14-4-5-14/h6-7,11,14,19,21H,2-5,8-10,12-13H2,1H3
InChIKeyVWSBOHBDDGZGDW-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.76
Rot. Bonds7

About N-(cyclopropylmethyl)-6-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-sulfonamide

N-(cyclopropylmethyl)-6-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-sulfonamide (PubChem CID 126793147) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-sulfonamide
PubChem CID126793147
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-(cyclopropylmethyl)-6-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-sulfonamide
SMILESCCC1(CO)CCCN(c2ccc(S(=O)(=O)NCC3CC3)cn2)C1
InChIInChI=1S/C17H27N3O3S/c1-2-17(13-21)8-3-9-20(12-17)16-7-6-15(11-18-16)24(22,23)19-10-14-4-5-14/h6-7,11,14,19,21H,2-5,8-10,12-13H2,1H3
InChIKeyVWSBOHBDDGZGDW-UHFFFAOYSA-N
XLogP1.76
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyridine-3-sulfonamide
CID 133396182
6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-(cyclopropylmethyl)pyridine-3-sulfonamide
CID 133344351
6-[2-(4-chlorophenyl)morpholin-4-yl]-N-(cyclopropylmethyl)pyridine-3-sulfonamide
CID 133319777
N-[(4-ethylcyclohexyl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62152225
N-(cyclopropylmethyl)-6-[2-(furan-2-yl)morpholin-4-yl]pyridine-3-sulfonamide
CID 133347151
N-(cyclopropylmethyl)-6-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyridine-3-sulfonamide
CID 127365372
[(3R)-3-ethyl-1-(6-ethyl-5-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 97145478
6-hydrazinyl-N-[(4-methylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 63244170
6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide
CID 62158948
N-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62150077
6-cyano-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 115602773
N-[(1-ethylpiperidin-4-yl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62157065

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-6-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-sulfonamide (CID 126793147) is N-(cyclopropylmethyl)-6-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-sulfonamide is CCC1(CO)CCCN(c2ccc(S(=O)(=O)NCC3CC3)cn2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-6-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-sulfonamide?
The InChIKey is VWSBOHBDDGZGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-2-17(13-21)8-3-9-20(12-17)16-7-6-15(11-18-16)24(22,23)19-10-14-4-5-14/h6-7,11,14,19,21H,2-5,8-10,12-13H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-6-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-sulfonamide?
N-(cyclopropylmethyl)-6-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-sulfonamide has a molecular weight of 353.49 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 126793147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).