N-[(1-methylpiperidin-3-yl)methyl]-3-methylsulfonylpropan-1-amine

C11H24N2O2S — CID 62656970

IUPACN-[(1-methylpiperidin-3-yl)methyl]-3-methylsulfonylpropan-1-amine
SMILESCN1CCCC(CNCCCS(C)(=O)=O)C1
InChIInChI=1S/C11H24N2O2S/c1-13-7-3-5-11(10-13)9-12-6-4-8-16(2,14)15/h11-12H,3-10H2,1-2H3
InChIKeyKVHSPCKHYNTCIZ-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.35
Rot. Bonds6

About N-[(1-methylpiperidin-3-yl)methyl]-3-methylsulfonylpropan-1-amine

N-[(1-methylpiperidin-3-yl)methyl]-3-methylsulfonylpropan-1-amine (PubChem CID 62656970) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-[(1-methylpiperidin-3-yl)methyl]-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-3-yl)methyl]-3-methylsulfonylpropan-1-amine
PubChem CID62656970
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-[(1-methylpiperidin-3-yl)methyl]-3-methylsulfonylpropan-1-amine
SMILESCN1CCCC(CNCCCS(C)(=O)=O)C1
InChIInChI=1S/C11H24N2O2S/c1-13-7-3-5-11(10-13)9-12-6-4-8-16(2,14)15/h11-12H,3-10H2,1-2H3
InChIKeyKVHSPCKHYNTCIZ-UHFFFAOYSA-N
XLogP0.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylmethyl)-3-methylsulfonylpropan-1-amine
CID 61342623
N-(cyclobutylmethyl)-3-methylsulfonylpropan-1-amine
CID 63190759
3-chloro-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine
CID 115215684
N-methyl-4-[(1-methylpiperidin-3-yl)methylamino]butanamide
CID 63892274
1-N-[(1-methylpiperidin-3-yl)methyl]pentane-1,4-diamine
CID 115203898
N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butane-1,4-diamine
CID 62657185
N'-hydroxy-4-[(1-methylpiperidin-3-yl)methylamino]butanimidamide
CID 77032158
N',N'-diethyl-N-[(1-methylpiperidin-3-yl)methyl]propane-1,3-diamine
CID 55099792
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
N-[(1-methylsulfonylpiperidin-3-yl)methyl]hexan-1-amine
CID 79609727
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
N-[(1-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybutan-1-amine
CID 106007547

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-3-methylsulfonylpropan-1-amine?
The IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-3-methylsulfonylpropan-1-amine (CID 62656970) is N-[(1-methylpiperidin-3-yl)methyl]-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-[(1-methylpiperidin-3-yl)methyl]-3-methylsulfonylpropan-1-amine?
The canonical SMILES for N-[(1-methylpiperidin-3-yl)methyl]-3-methylsulfonylpropan-1-amine is CN1CCCC(CNCCCS(C)(=O)=O)C1.
What is the InChIKey of N-[(1-methylpiperidin-3-yl)methyl]-3-methylsulfonylpropan-1-amine?
The InChIKey is KVHSPCKHYNTCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-13-7-3-5-11(10-13)9-12-6-4-8-16(2,14)15/h11-12H,3-10H2,1-2H3.
What are the key properties of N-[(1-methylpiperidin-3-yl)methyl]-3-methylsulfonylpropan-1-amine?
N-[(1-methylpiperidin-3-yl)methyl]-3-methylsulfonylpropan-1-amine has a molecular weight of 248.39 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-3-yl)methyl]-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 62656970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).