N-[1-(1-pyridin-3-ylsulfonylpiperidin-4-yl)ethyl]propan-1-amine

C15H25N3O2S — CID 63854203

IUPACN-[1-(1-pyridin-3-ylsulfonylpiperidin-4-yl)ethyl]propan-1-amine
SMILESCCCNC(C)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C15H25N3O2S/c1-3-8-17-13(2)14-6-10-18(11-7-14)21(19,20)15-5-4-9-16-12-15/h4-5,9,12-14,17H,3,6-8,10-11H2,1-2H3
InChIKeyGETFCBGQQCVJRP-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.87
Rot. Bonds6

About N-[1-(1-pyridin-3-ylsulfonylpiperidin-4-yl)ethyl]propan-1-amine

N-[1-(1-pyridin-3-ylsulfonylpiperidin-4-yl)ethyl]propan-1-amine (PubChem CID 63854203) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[1-(1-pyridin-3-ylsulfonylpiperidin-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-pyridin-3-ylsulfonylpiperidin-4-yl)ethyl]propan-1-amine
PubChem CID63854203
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-[1-(1-pyridin-3-ylsulfonylpiperidin-4-yl)ethyl]propan-1-amine
SMILESCCCNC(C)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C15H25N3O2S/c1-3-8-17-13(2)14-6-10-18(11-7-14)21(19,20)15-5-4-9-16-12-15/h4-5,9,12-14,17H,3,6-8,10-11H2,1-2H3
InChIKeyGETFCBGQQCVJRP-UHFFFAOYSA-N
XLogP1.87
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46407164
N-propyl-N'-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521045
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propane-2-sulfonamide
CID 90521218
3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine
CID 80668698
3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721
2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 63878235
N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63879976
2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 120525861
N-ethyl-1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]ethanamine
CID 103298412
N-(1-pyridin-3-ylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43066226
[2-[di(propan-2-yl)amino]-2-oxoethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate
CID 46602604
N-[1-(1-propylsulfonylpiperidin-4-yl)ethyl]propan-1-amine
CID 63853504

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-pyridin-3-ylsulfonylpiperidin-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1-pyridin-3-ylsulfonylpiperidin-4-yl)ethyl]propan-1-amine (CID 63854203) is N-[1-(1-pyridin-3-ylsulfonylpiperidin-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-pyridin-3-ylsulfonylpiperidin-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-pyridin-3-ylsulfonylpiperidin-4-yl)ethyl]propan-1-amine is CCCNC(C)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-[1-(1-pyridin-3-ylsulfonylpiperidin-4-yl)ethyl]propan-1-amine?
The InChIKey is GETFCBGQQCVJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-8-17-13(2)14-6-10-18(11-7-14)21(19,20)15-5-4-9-16-12-15/h4-5,9,12-14,17H,3,6-8,10-11H2,1-2H3.
What are the key properties of N-[1-(1-pyridin-3-ylsulfonylpiperidin-4-yl)ethyl]propan-1-amine?
N-[1-(1-pyridin-3-ylsulfonylpiperidin-4-yl)ethyl]propan-1-amine has a molecular weight of 311.45 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-pyridin-3-ylsulfonylpiperidin-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63854203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).