2,2-dimethyl-N-[2-[5-[3-(methylamino)piperidin-1-yl]sulfonylthiophen-2-yl]ethyl]propanamide;hydrochloride

C17H30ClN3O3S2 — CID 120715461

IUPAC2,2-dimethyl-N-[2-[5-[3-(methylamino)piperidin-1-yl]sulfonylthiophen-2-yl]ethyl]propanamide;hydrochloride
SMILESCNC1CCCN(S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)C1.Cl
InChIInChI=1S/C17H29N3O3S2.ClH/c1-17(2,3)16(21)19-10-9-14-7-8-15(24-14)25(22,23)20-11-5-6-13(12-20)18-4;/h7-8,13,18H,5-6,9-12H2,1-4H3,(H,19,21);1H
InChIKeyQTPDYIOLPYCTFX-UHFFFAOYSA-N
MW424.03 g/mol
LogP2.25
Rot. Bonds6

About 2,2-dimethyl-N-[2-[5-[3-(methylamino)piperidin-1-yl]sulfonylthiophen-2-yl]ethyl]propanamide;hydrochloride

2,2-dimethyl-N-[2-[5-[3-(methylamino)piperidin-1-yl]sulfonylthiophen-2-yl]ethyl]propanamide;hydrochloride (PubChem CID 120715461) has the molecular formula C17H30ClN3O3S2 and a molecular weight of 424.03 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[5-[3-(methylamino)piperidin-1-yl]sulfonylthiophen-2-yl]ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[5-[3-(methylamino)piperidin-1-yl]sulfonylthiophen-2-yl]ethyl]propanamide;hydrochloride
PubChem CID120715461
Molecular FormulaC17H30ClN3O3S2
Molecular Weight424.03 g/mol
Exact Mass423.14
IUPAC Name2,2-dimethyl-N-[2-[5-[3-(methylamino)piperidin-1-yl]sulfonylthiophen-2-yl]ethyl]propanamide;hydrochloride
SMILESCNC1CCCN(S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)C1.Cl
InChIInChI=1S/C17H29N3O3S2.ClH/c1-17(2,3)16(21)19-10-9-14-7-8-15(24-14)25(22,23)20-11-5-6-13(12-20)18-4;/h7-8,13,18H,5-6,9-12H2,1-4H3,(H,19,21);1H
InChIKeyQTPDYIOLPYCTFX-UHFFFAOYSA-N
XLogP2.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.03
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)thiophen-2-yl]ethyl]acetamide;hydrochloride
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CID 139012998
4-(methylamino)-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride
CID 119802226
N-[2-[5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
CID 119987630
N-[2-[5-[(2-amino-2-cyclopropylethyl)sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 120582593
3-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]propanamide;hydrochloride
CID 119334218
N-[2-[5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide
CID 138997961
(2S)-2-amino-4-methyl-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]pentanamide;hydrochloride
CID 119802258
N-(2-aminoethyl)-1-(5-ethylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 119971441
4-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride
CID 119334238
2,2-dimethyl-N-[2-[5-[2-(methylamino)propylsulfamoyl]thiophen-2-yl]ethyl]propanamide
CID 120824426
N-[2-[5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[5-[3-(methylamino)piperidin-1-yl]sulfonylthiophen-2-yl]ethyl]propanamide;hydrochloride?
The IUPAC name of 2,2-dimethyl-N-[2-[5-[3-(methylamino)piperidin-1-yl]sulfonylthiophen-2-yl]ethyl]propanamide;hydrochloride (CID 120715461) is 2,2-dimethyl-N-[2-[5-[3-(methylamino)piperidin-1-yl]sulfonylthiophen-2-yl]ethyl]propanamide;hydrochloride.
What is the SMILES notation for 2,2-dimethyl-N-[2-[5-[3-(methylamino)piperidin-1-yl]sulfonylthiophen-2-yl]ethyl]propanamide;hydrochloride?
The canonical SMILES for 2,2-dimethyl-N-[2-[5-[3-(methylamino)piperidin-1-yl]sulfonylthiophen-2-yl]ethyl]propanamide;hydrochloride is CNC1CCCN(S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)C1.Cl.
What is the InChIKey of 2,2-dimethyl-N-[2-[5-[3-(methylamino)piperidin-1-yl]sulfonylthiophen-2-yl]ethyl]propanamide;hydrochloride?
The InChIKey is QTPDYIOLPYCTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3S2.ClH/c1-17(2,3)16(21)19-10-9-14-7-8-15(24-14)25(22,23)20-11-5-6-13(12-20)18-4;/h7-8,13,18H,5-6,9-12H2,1-4H3,(H,19,21);1H.
What are the key properties of 2,2-dimethyl-N-[2-[5-[3-(methylamino)piperidin-1-yl]sulfonylthiophen-2-yl]ethyl]propanamide;hydrochloride?
2,2-dimethyl-N-[2-[5-[3-(methylamino)piperidin-1-yl]sulfonylthiophen-2-yl]ethyl]propanamide;hydrochloride has a molecular weight of 424.03 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[5-[3-(methylamino)piperidin-1-yl]sulfonylthiophen-2-yl]ethyl]propanamide;hydrochloride is sourced from PubChem (CID 120715461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).