N-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide

C17H26N2O2S — CID 163349558

IUPACN-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide
SMILESCc1cccc(CN2CCC(N(C)S(=O)(=O)C3CC3)CC2)c1
InChIInChI=1S/C17H26N2O2S/c1-14-4-3-5-15(12-14)13-19-10-8-16(9-11-19)18(2)22(20,21)17-6-7-17/h3-5,12,16-17H,6-11,13H2,1-2H3
InChIKeyGYKBQJCHNNOYAG-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.38
Rot. Bonds5

About N-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide

N-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide (PubChem CID 163349558) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide
PubChem CID163349558
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide
SMILESCc1cccc(CN2CCC(N(C)S(=O)(=O)C3CC3)CC2)c1
InChIInChI=1S/C17H26N2O2S/c1-14-4-3-5-15(12-14)13-19-10-8-16(9-11-19)18(2)22(20,21)17-6-7-17/h3-5,12,16-17H,6-11,13H2,1-2H3
InChIKeyGYKBQJCHNNOYAG-UHFFFAOYSA-N
XLogP2.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide
CID 146074496
2-[methyl-[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 82548262
N-benzyl-N-methyl-1-[(3-methylphenyl)methyl]piperidin-4-amine;oxalic acid
CID 17369343
N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide
CID 163346546
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclopropanesulfonamide
CID 163349605
N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide
CID 163346524
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one
CID 83983411
N-(4-fluorophenyl)-2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 46048468
[1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 25249252
N-methyl-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 154872949
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62593278

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide?
The IUPAC name of N-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide (CID 163349558) is N-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide?
The canonical SMILES for N-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide is Cc1cccc(CN2CCC(N(C)S(=O)(=O)C3CC3)CC2)c1.
What is the InChIKey of N-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide?
The InChIKey is GYKBQJCHNNOYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-14-4-3-5-15(12-14)13-19-10-8-16(9-11-19)18(2)22(20,21)17-6-7-17/h3-5,12,16-17H,6-11,13H2,1-2H3.
What are the key properties of N-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide?
N-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide has a molecular weight of 322.47 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide is sourced from PubChem (CID 163349558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).