N-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylpyrrolidin-3-amine

C14H29N3O2S — CID 79610967

IUPACN-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(CC1CCCN(S(C)(=O)=O)C1)C1CCNC1
InChIInChI=1S/C14H29N3O2S/c1-3-8-16(14-6-7-15-10-14)11-13-5-4-9-17(12-13)20(2,18)19/h13-15H,3-12H2,1-2H3
InChIKeyAWZAPSXEZDELTD-UHFFFAOYSA-N
MW303.47 g/mol
LogP0.73
Rot. Bonds6

About N-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylpyrrolidin-3-amine

N-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylpyrrolidin-3-amine (PubChem CID 79610967) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylpyrrolidin-3-amine
PubChem CID79610967
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC NameN-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(CC1CCCN(S(C)(=O)=O)C1)C1CCNC1
InChIInChI=1S/C14H29N3O2S/c1-3-8-16(14-6-7-15-10-14)11-13-5-4-9-17(12-13)20(2,18)19/h13-15H,3-12H2,1-2H3
InChIKeyAWZAPSXEZDELTD-UHFFFAOYSA-N
XLogP0.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromoethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutanamine
CID 102861031
N-(2-chloroethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 79622478
N-methyl-N'-[(1-methylsulfonylpiperidin-3-yl)methyl]-N'-propylethane-1,2-diamine
CID 79612634
4-N-ethyl-4-N-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexane-1,4-diamine
CID 79612396
1-methylsulfonyl-3-(pyrrolidin-3-ylmethoxymethyl)piperidine
CID 79611515
1-methylsulfonyl-3-(piperidin-4-yloxymethyl)piperidine
CID 79613125
(2R)-2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine
CID 82713447
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
methyl 2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]acetate
CID 79623241
3-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]propanenitrile
CID 113249300
7-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]-1,4-diazepane
CID 79622838
2-[2-(dimethylamino)ethyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]acetic acid
CID 107425042

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylpyrrolidin-3-amine?
The IUPAC name of N-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylpyrrolidin-3-amine (CID 79610967) is N-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylpyrrolidin-3-amine.
What is the SMILES notation for N-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylpyrrolidin-3-amine?
The canonical SMILES for N-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylpyrrolidin-3-amine is CCCN(CC1CCCN(S(C)(=O)=O)C1)C1CCNC1.
What is the InChIKey of N-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylpyrrolidin-3-amine?
The InChIKey is AWZAPSXEZDELTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-3-8-16(14-6-7-15-10-14)11-13-5-4-9-17(12-13)20(2,18)19/h13-15H,3-12H2,1-2H3.
What are the key properties of N-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylpyrrolidin-3-amine?
N-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylpyrrolidin-3-amine has a molecular weight of 303.47 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 79610967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).