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

C16H26N2O2S — CID 63880338

IUPACN-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]propan-2-amine
SMILESCc1cccc(S(=O)(=O)N2CCCCC2CNC(C)C)c1
InChIInChI=1S/C16H26N2O2S/c1-13(2)17-12-15-8-4-5-10-18(15)21(19,20)16-9-6-7-14(3)11-16/h6-7,9,11,13,15,17H,4-5,8,10,12H2,1-3H3
InChIKeyRMBBSAMHKVJIHS-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.54
Rot. Bonds5

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

N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]propan-2-amine (PubChem CID 63880338) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]propan-2-amine
PubChem CID63880338
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]propan-2-amine
SMILESCc1cccc(S(=O)(=O)N2CCCCC2CNC(C)C)c1
InChIInChI=1S/C16H26N2O2S/c1-13(2)17-12-15-8-4-5-10-18(15)21(19,20)16-9-6-7-14(3)11-16/h6-7,9,11,13,15,17H,4-5,8,10,12H2,1-3H3
InChIKeyRMBBSAMHKVJIHS-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]propan-2-amine (CID 63880338) is N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]propan-2-amine is Cc1cccc(S(=O)(=O)N2CCCCC2CNC(C)C)c1.
What is the InChIKey of N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]propan-2-amine?
The InChIKey is RMBBSAMHKVJIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-13(2)17-12-15-8-4-5-10-18(15)21(19,20)16-9-6-7-14(3)11-16/h6-7,9,11,13,15,17H,4-5,8,10,12H2,1-3H3.
What are the key properties of N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]propan-2-amine?
N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]propan-2-amine has a molecular weight of 310.46 g/mol, XLogP of 2.54, 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-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 63880338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).