4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine

C13H29N3O2S — CID 79850413

IUPAC4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(CN)(N(C)CCS(C)(=O)=O)CC1
InChIInChI=1S/C13H29N3O2S/c1-4-7-16-8-5-13(12-14,6-9-16)15(2)10-11-19(3,17)18/h4-12,14H2,1-3H3
InChIKeyQHTVSQZHEHHWMK-UHFFFAOYSA-N
MW291.46 g/mol
LogP0.17
Rot. Bonds7

About 4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine

4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine (PubChem CID 79850413) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine
PubChem CID79850413
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC Name4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(CN)(N(C)CCS(C)(=O)=O)CC1
InChIInChI=1S/C13H29N3O2S/c1-4-7-16-8-5-13(12-14,6-9-16)15(2)10-11-19(3,17)18/h4-12,14H2,1-3H3
InChIKeyQHTVSQZHEHHWMK-UHFFFAOYSA-N
XLogP0.17
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(aminomethyl)-N,4,4-trimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 79850059
4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1,1-dioxothian-4-amine
CID 79849787
4-(aminomethyl)-N-methyl-N-pentyl-1-propylazepan-4-amine
CID 65078655
1-(aminomethyl)-N,4,4-trimethyl-N-(2-methylsulfonylethyl)cycloheptan-1-amine
CID 79849786
1-(aminomethyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopropan-1-amine
CID 106661226
4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-1-propylpiperidin-4-amine
CID 55249827
4-(aminomethyl)-N-methyl-N-(2-methylpropyl)-1-propylazepan-4-amine
CID 65078460
3-(aminomethyl)-N,N-dimethyl-1-propylpyrrolidin-3-amine
CID 117012434
4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-1-propylazepan-4-amine
CID 65075625
4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1-propylpiperidin-4-amine
CID 28798824
4-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1-propylazepan-4-amine
CID 65076225
1-(aminomethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 62006773

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine (CID 79850413) is 4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine is CCCN1CCC(CN)(N(C)CCS(C)(=O)=O)CC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine?
The InChIKey is QHTVSQZHEHHWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-4-7-16-8-5-13(12-14,6-9-16)15(2)10-11-19(3,17)18/h4-12,14H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine?
4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine has a molecular weight of 291.46 g/mol, XLogP of 0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine is sourced from PubChem (CID 79850413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).