N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide

C20H27N3O3S — CID 113015711

IUPACN-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC1CCCN(c2ccc(NS(=O)(=O)c3ccc(OC(C)C)cc3)cn2)C1
InChIInChI=1S/C20H27N3O3S/c1-15(2)26-18-7-9-19(10-8-18)27(24,25)22-17-6-11-20(21-13-17)23-12-4-5-16(3)14-23/h6-11,13,15-16,22H,4-5,12,14H2,1-3H3
InChIKeyDTFQVMMKLMAGME-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.91
Rot. Bonds6

About N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide

N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 113015711) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID113015711
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC1CCCN(c2ccc(NS(=O)(=O)c3ccc(OC(C)C)cc3)cn2)C1
InChIInChI=1S/C20H27N3O3S/c1-15(2)26-18-7-9-19(10-8-18)27(24,25)22-17-6-11-20(21-13-17)23-12-4-5-16(3)14-23/h6-11,13,15-16,22H,4-5,12,14H2,1-3H3
InChIKeyDTFQVMMKLMAGME-UHFFFAOYSA-N
XLogP3.91
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-methylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109161701
N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methanesulfonamide
CID 113015667
2,5-dimethoxy-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113015691
1-[5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 86967490
N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 113011180
N-[5-(cyclopentylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
CID 113024552
3,5-dimethoxy-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]benzamide
CID 113015617
4-ethoxy-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113011203
N-[6-(azepan-1-yl)-3-pyridinyl]-4-tert-butylbenzenesulfonamide
CID 113015975
N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]cyclobutanecarboxamide
CID 113015663
ethyl N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]carbamate
CID 113015658
N-[6-[(3S)-3-methyl-4-prop-2-enylpiperazin-1-yl]-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 69146506

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide (CID 113015711) is N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide is CC1CCCN(c2ccc(NS(=O)(=O)c3ccc(OC(C)C)cc3)cn2)C1.
What is the InChIKey of N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is DTFQVMMKLMAGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-15(2)26-18-7-9-19(10-8-18)27(24,25)22-17-6-11-20(21-13-17)23-12-4-5-16(3)14-23/h6-11,13,15-16,22H,4-5,12,14H2,1-3H3.
What are the key properties of N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide?
N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 389.52 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 113015711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).