N-propyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine

C15H25N3O2S — CID 60865084

IUPACN-propyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
SMILESCCCNC1CCN(S(=O)(=O)CCc2ccccn2)CC1
InChIInChI=1S/C15H25N3O2S/c1-2-9-16-15-6-11-18(12-7-15)21(19,20)13-8-14-5-3-4-10-17-14/h3-5,10,15-16H,2,6-9,11-13H2,1H3
InChIKeyOANRUVDDZRZXCP-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.42
Rot. Bonds7

About N-propyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine

N-propyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine (PubChem CID 60865084) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-propyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound NameN-propyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
PubChem CID60865084
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-propyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
SMILESCCCNC1CCN(S(=O)(=O)CCc2ccccn2)CC1
InChIInChI=1S/C15H25N3O2S/c1-2-9-16-15-6-11-18(12-7-15)21(19,20)13-8-14-5-3-4-10-17-14/h3-5,10,15-16H,2,6-9,11-13H2,1H3
InChIKeyOANRUVDDZRZXCP-UHFFFAOYSA-N
XLogP1.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 28731283
1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
CID 60864901
[1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-yl]methanol
CID 54878771
ethyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylate
CID 23959675
(3S)-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-3-ol
CID 79030740
N-propyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 60860967
1-(2-methylsulfonylethylsulfonyl)-N-propylpiperidin-4-amine
CID 55173688
[4-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-3-yl]methanamine
CID 114960930
1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 43761318
1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-ol
CID 63106619
1-(azetidin-3-yl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine
CID 66202357
1-(3-methylbutylsulfonyl)-N-propylpiperidin-4-amine
CID 63834582

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine?
The IUPAC name of N-propyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine (CID 60865084) is N-propyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine.
What is the SMILES notation for N-propyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine?
The canonical SMILES for N-propyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine is CCCNC1CCN(S(=O)(=O)CCc2ccccn2)CC1.
What is the InChIKey of N-propyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine?
The InChIKey is OANRUVDDZRZXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-2-9-16-15-6-11-18(12-7-15)21(19,20)13-8-14-5-3-4-10-17-14/h3-5,10,15-16H,2,6-9,11-13H2,1H3.
What are the key properties of N-propyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine?
N-propyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine has a molecular weight of 311.45 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 60865084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).