N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-3-ylpropan-2-amine

C15H26N2O2S2 — CID 105166948

IUPACN-ethyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-3-ylpropan-2-amine
SMILESCCNC(Cc1ccsc1)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C15H26N2O2S2/c1-3-16-15(10-14-6-8-20-12-14)9-13-5-4-7-17(11-13)21(2,18)19/h6,8,12-13,15-16H,3-5,7,9-11H2,1-2H3
InChIKeyUMNBKCNPWRGGDP-UHFFFAOYSA-N
MW330.52 g/mol
LogP2.33
Rot. Bonds7

About N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-3-ylpropan-2-amine

N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-3-ylpropan-2-amine (PubChem CID 105166948) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-3-ylpropan-2-amine
PubChem CID105166948
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC NameN-ethyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-3-ylpropan-2-amine
SMILESCCNC(Cc1ccsc1)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C15H26N2O2S2/c1-3-16-15(10-14-6-8-20-12-14)9-13-5-4-7-17(11-13)21(2,18)19/h6,8,12-13,15-16H,3-5,7,9-11H2,1-2H3
InChIKeyUMNBKCNPWRGGDP-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Sezolamide
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(4R,6R)-4-(Ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide
CID 92087
(4R,6S)-4-(Ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide
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Trans-5,6-dihydro-4-ethylamino-6-(n-propyl)-4H-thieno[2,3-b]thiopyran-2-sulfonamide-7,7-dioxide
CID 9863339
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ethyl-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]azanium
CID 36688115
(6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
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(4S,6S)-6-ethyl-4-(ethylamino)-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 44266037
(4S,6R)-4-(ethylamino)-7,7-dioxo-6-propyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 44266090
(4R)-4-(2-methylpropylamino)-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-3-ylpropan-2-amine (CID 105166948) is N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-3-ylpropan-2-amine is CCNC(Cc1ccsc1)CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-3-ylpropan-2-amine?
The InChIKey is UMNBKCNPWRGGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-3-16-15(10-14-6-8-20-12-14)9-13-5-4-7-17(11-13)21(2,18)19/h6,8,12-13,15-16H,3-5,7,9-11H2,1-2H3.
What are the key properties of N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-3-ylpropan-2-amine?
N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-3-ylpropan-2-amine has a molecular weight of 330.52 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 105166948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).