3-methyl-1-piperidin-1-ylsulfonyl-N-propylpiperidin-4-amine

C14H29N3O2S — CID 114499016

IUPAC3-methyl-1-piperidin-1-ylsulfonyl-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(S(=O)(=O)N2CCCCC2)CC1C
InChIInChI=1S/C14H29N3O2S/c1-3-8-15-14-7-11-17(12-13(14)2)20(18,19)16-9-5-4-6-10-16/h13-15H,3-12H2,1-2H3
InChIKeyDDOQKFXAKYHFHS-UHFFFAOYSA-N
MW303.47 g/mol
LogP1.43
Rot. Bonds5

About 3-methyl-1-piperidin-1-ylsulfonyl-N-propylpiperidin-4-amine

3-methyl-1-piperidin-1-ylsulfonyl-N-propylpiperidin-4-amine (PubChem CID 114499016) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is 3-methyl-1-piperidin-1-ylsulfonyl-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name3-methyl-1-piperidin-1-ylsulfonyl-N-propylpiperidin-4-amine
PubChem CID114499016
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC Name3-methyl-1-piperidin-1-ylsulfonyl-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(S(=O)(=O)N2CCCCC2)CC1C
InChIInChI=1S/C14H29N3O2S/c1-3-8-15-14-7-11-17(12-13(14)2)20(18,19)16-9-5-4-6-10-16/h13-15H,3-12H2,1-2H3
InChIKeyDDOQKFXAKYHFHS-UHFFFAOYSA-N
XLogP1.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methyl-1-morpholin-4-ylsulfonylpiperidin-4-amine
CID 114498907
N,3-diethyl-1-pyrrolidin-1-ylsulfonylpiperidin-4-amine
CID 114507131
1-cyclohexyl-3-methyl-N-propylpiperidin-4-amine
CID 54975332
1-(5-bromothiophen-2-yl)sulfonyl-3-methyl-N-propylpiperidin-4-amine
CID 114499008
1-(azepan-1-ylsulfonyl)-N-ethylpiperidin-4-amine
CID 60820122
2-cyclopentyl-1-[3-methyl-4-(propylamino)piperidin-1-yl]ethanone
CID 114498667
1-(4-methylpiperidin-1-yl)sulfonylazocane
CID 176961547
[3-methyl-4-(propylamino)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 114498726
1-[2-(dimethylamino)ethyl]-3-methyl-N-propylpiperidin-4-amine
CID 114499538
1-(difluoromethylsulfonyl)-N-ethyl-3-methylpiperidin-4-amine
CID 114498941
1-morpholin-4-ylsulfonyl-N-propylpiperidin-4-amine
CID 54923533
1-(2,2-dimethylpropylsulfonyl)-N-ethyl-3-methylpiperidin-4-amine
CID 114498948

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-piperidin-1-ylsulfonyl-N-propylpiperidin-4-amine?
The IUPAC name of 3-methyl-1-piperidin-1-ylsulfonyl-N-propylpiperidin-4-amine (CID 114499016) is 3-methyl-1-piperidin-1-ylsulfonyl-N-propylpiperidin-4-amine.
What is the SMILES notation for 3-methyl-1-piperidin-1-ylsulfonyl-N-propylpiperidin-4-amine?
The canonical SMILES for 3-methyl-1-piperidin-1-ylsulfonyl-N-propylpiperidin-4-amine is CCCNC1CCN(S(=O)(=O)N2CCCCC2)CC1C.
What is the InChIKey of 3-methyl-1-piperidin-1-ylsulfonyl-N-propylpiperidin-4-amine?
The InChIKey is DDOQKFXAKYHFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-3-8-15-14-7-11-17(12-13(14)2)20(18,19)16-9-5-4-6-10-16/h13-15H,3-12H2,1-2H3.
What are the key properties of 3-methyl-1-piperidin-1-ylsulfonyl-N-propylpiperidin-4-amine?
3-methyl-1-piperidin-1-ylsulfonyl-N-propylpiperidin-4-amine has a molecular weight of 303.47 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-piperidin-1-ylsulfonyl-N-propylpiperidin-4-amine is sourced from PubChem (CID 114499016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).