N-[[1-(3-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-2-amine

C16H26N2O2S — CID 63241431

IUPACN-[[1-(3-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-2-amine
SMILESCc1cccc(S(=O)(=O)N2CCCC(CNC(C)C)C2)c1
InChIInChI=1S/C16H26N2O2S/c1-13(2)17-11-15-7-5-9-18(12-15)21(19,20)16-8-4-6-14(3)10-16/h4,6,8,10,13,15,17H,5,7,9,11-12H2,1-3H3
InChIKeyRLGZUGDSRAWSKY-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.39
Rot. Bonds5

About N-[[1-(3-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-2-amine

N-[[1-(3-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-2-amine (PubChem CID 63241431) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[[1-(3-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-2-amine
PubChem CID63241431
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[[1-(3-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-2-amine
SMILESCc1cccc(S(=O)(=O)N2CCCC(CNC(C)C)C2)c1
InChIInChI=1S/C16H26N2O2S/c1-13(2)17-11-15-7-5-9-18(12-15)21(19,20)16-8-4-6-14(3)10-16/h4,6,8,10,13,15,17H,5,7,9,11-12H2,1-3H3
InChIKeyRLGZUGDSRAWSKY-UHFFFAOYSA-N
XLogP2.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(bromomethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 80675902
3-(ethoxymethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 110418161
3-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)sulfonylpiperidine
CID 154796219
[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62370440
1-[1-(3-iodophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961461
1-[1-(3-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961100
N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]propan-2-amine
CID 63880338
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
N,N-dimethyl-3-[3-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 119960974
1-[1-(3-ethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961401
N-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 120998970
N-methyl-1-[1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977852

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(3-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-2-amine (CID 63241431) is N-[[1-(3-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-2-amine is Cc1cccc(S(=O)(=O)N2CCCC(CNC(C)C)C2)c1.
What is the InChIKey of N-[[1-(3-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-2-amine?
The InChIKey is RLGZUGDSRAWSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-13(2)17-11-15-7-5-9-18(12-15)21(19,20)16-8-4-6-14(3)10-16/h4,6,8,10,13,15,17H,5,7,9,11-12H2,1-3H3.
What are the key properties of N-[[1-(3-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-2-amine?
N-[[1-(3-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-2-amine has a molecular weight of 310.46 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63241431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).