2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)propan-1-amine

C12H26N2O2S — CID 113422063

IUPAC2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)propan-1-amine
SMILESCC(CNCCCN1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C12H26N2O2S/c1-12(17(2,15)16)11-13-7-6-10-14-8-4-3-5-9-14/h12-13H,3-11H2,1-2H3
InChIKeyUUVHUXZSKFYSJQ-UHFFFAOYSA-N
MW262.42 g/mol
LogP0.89
Rot. Bonds7

About 2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)propan-1-amine

2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)propan-1-amine (PubChem CID 113422063) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)propan-1-amine.

Molecular Properties

Compound Name2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)propan-1-amine
PubChem CID113422063
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)propan-1-amine
SMILESCC(CNCCCN1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C12H26N2O2S/c1-12(17(2,15)16)11-13-7-6-10-14-8-4-3-5-9-14/h12-13H,3-11H2,1-2H3
InChIKeyUUVHUXZSKFYSJQ-UHFFFAOYSA-N
XLogP0.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 50.89
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

2-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 104519156
N-(2-methylpropyl)-4-piperidin-1-ylbutan-1-amine
CID 62425413
5-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62438364
N-(2-methylpropyl)-N'-(2-methylsulfonylpropyl)propane-1,3-diamine
CID 104519219
3-methoxy-2-methyl-N-(3-piperidin-1-ylpropyl)propan-1-amine
CID 116500788
4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923
N-[2-(azocan-1-yl)ethyl]-2-methylpropan-1-amine
CID 62419801
N-ethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 23440046
4-chloro-N-(3-pyrrolidin-1-ylpropyl)pentan-1-amine
CID 106122021
(2S)-3-(3-pyrrolidin-1-ylpropylamino)propane-1,2-diol
CID 62991883
1-[2-(azepan-1-yl)ethylamino]propan-2-ol
CID 104594544
N-[3-(azepan-1-yl)propyl]butan-2-amine
CID 115707284

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)propan-1-amine?
The IUPAC name of 2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)propan-1-amine (CID 113422063) is 2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)propan-1-amine.
What is the SMILES notation for 2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)propan-1-amine?
The canonical SMILES for 2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)propan-1-amine is CC(CNCCCN1CCCCC1)S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)propan-1-amine?
The InChIKey is UUVHUXZSKFYSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-12(17(2,15)16)11-13-7-6-10-14-8-4-3-5-9-14/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)propan-1-amine?
2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)propan-1-amine has a molecular weight of 262.42 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)propan-1-amine is sourced from PubChem (CID 113422063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).