N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]formamide

C13H18N2O3S — CID 168652488

IUPACN-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]formamide
SMILESCC1CCN(S(=O)(=O)c2cccc(NC=O)c2)CC1
InChIInChI=1S/C13H18N2O3S/c1-11-5-7-15(8-6-11)19(17,18)13-4-2-3-12(9-13)14-10-16/h2-4,9-11H,5-8H2,1H3,(H,14,16)
InChIKeyJWEDSQKOVRBIAP-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.68
Rot. Bonds4

About N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]formamide

N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]formamide (PubChem CID 168652488) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]formamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]formamide
PubChem CID168652488
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]formamide
SMILESCC1CCN(S(=O)(=O)c2cccc(NC=O)c2)CC1
InChIInChI=1S/C13H18N2O3S/c1-11-5-7-15(8-6-11)19(17,18)13-4-2-3-12(9-13)14-10-16/h2-4,9-11H,5-8H2,1H3,(H,14,16)
InChIKeyJWEDSQKOVRBIAP-UHFFFAOYSA-N
XLogP1.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(3-piperidin-1-ylsulfonylphenyl)formamide
CID 168654481
3-(4-methylpiperidin-1-yl)sulfonylaniline
CID 3170436
4-methyl-1-(3-methylsulfonylphenyl)sulfonylpiperidine
CID 47154568
2-cyano-N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 168523033
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
1-[3-(4-chlorophenyl)sulfonylphenyl]sulfonyl-4-methylpiperidine
CID 23820476
4-[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperazine-1-carbaldehyde
CID 109063450
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436
2,7-bis[(4-methylpiperidin-1-yl)sulfonyl]anthracene-9,10-dione
CID 25123757
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-methylpiperidine
CID 3154533
3-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylbenzonitrile
CID 46287371
3-(3-methylpyrrolidin-1-yl)sulfonylbenzonitrile
CID 61227022

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]formamide?
The IUPAC name of N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]formamide (CID 168652488) is N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]formamide.
What is the SMILES notation for N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]formamide?
The canonical SMILES for N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]formamide is CC1CCN(S(=O)(=O)c2cccc(NC=O)c2)CC1.
What is the InChIKey of N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]formamide?
The InChIKey is JWEDSQKOVRBIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-11-5-7-15(8-6-11)19(17,18)13-4-2-3-12(9-13)14-10-16/h2-4,9-11H,5-8H2,1H3,(H,14,16).
What are the key properties of N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]formamide?
N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]formamide has a molecular weight of 282.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]formamide is sourced from PubChem (CID 168652488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).