1-(1-methylsulfonylpiperidin-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine

C15H32N2O2S2 — CID 79612455

IUPAC1-(1-methylsulfonylpiperidin-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSC(C)C)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C15H32N2O2S2/c1-5-8-16-15(12-20-13(2)3)10-14-7-6-9-17(11-14)21(4,18)19/h13-16H,5-12H2,1-4H3
InChIKeyMMLFWUPYWZBINC-UHFFFAOYSA-N
MW336.57 g/mol
LogP2.56
Rot. Bonds9

About 1-(1-methylsulfonylpiperidin-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine

1-(1-methylsulfonylpiperidin-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine (PubChem CID 79612455) has the molecular formula C15H32N2O2S2 and a molecular weight of 336.57 g/mol. Its IUPAC name is 1-(1-methylsulfonylpiperidin-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(1-methylsulfonylpiperidin-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
PubChem CID79612455
Molecular FormulaC15H32N2O2S2
Molecular Weight336.57 g/mol
Exact Mass336.19
IUPAC Name1-(1-methylsulfonylpiperidin-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSC(C)C)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C15H32N2O2S2/c1-5-8-16-15(12-20-13(2)3)10-14-7-6-9-17(11-14)21(4,18)19/h13-16H,5-12H2,1-4H3
InChIKeyMMLFWUPYWZBINC-UHFFFAOYSA-N
XLogP2.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylsulfanyl-1-(1-methylsulfonylpiperidin-3-yl)-N-propylbutan-2-amine
CID 105166938
3-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)-N-propylbutan-2-amine
CID 105011176
N-methyl-1-methylsulfanyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79612431
N-ethyl-4-methylsulfanyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105166976
N-[1-(2-methylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]propan-1-amine
CID 79622196
N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79611008
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79611003
4-ethoxy-N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105167017
N-ethyl-1-methoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79611847
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
4-methylsulfonyl-1-propan-2-ylsulfanyl-N-propylbutan-2-amine
CID 65131331
N-[2-(1-methylsulfonylpiperidin-3-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
CID 105166939

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpiperidin-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine?
The IUPAC name of 1-(1-methylsulfonylpiperidin-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine (CID 79612455) is 1-(1-methylsulfonylpiperidin-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(1-methylsulfonylpiperidin-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(1-methylsulfonylpiperidin-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine is CCCNC(CSC(C)C)CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 1-(1-methylsulfonylpiperidin-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine?
The InChIKey is MMLFWUPYWZBINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S2/c1-5-8-16-15(12-20-13(2)3)10-14-7-6-9-17(11-14)21(4,18)19/h13-16H,5-12H2,1-4H3.
What are the key properties of 1-(1-methylsulfonylpiperidin-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine?
1-(1-methylsulfonylpiperidin-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine has a molecular weight of 336.57 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpiperidin-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine is sourced from PubChem (CID 79612455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).