N-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide

C14H23N3O3S2 — CID 119594615

IUPACN-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)N1CCCC(C(C)N)C1
InChIInChI=1S/C14H23N3O3S2/c1-10(15)12-5-3-7-17(9-12)14(18)11(2)16-22(19,20)13-6-4-8-21-13/h4,6,8,10-12,16H,3,5,7,9,15H2,1-2H3
InChIKeyBMXSAZUJTPSYBF-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.00
Rot. Bonds5

About N-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide

N-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide (PubChem CID 119594615) has the molecular formula C14H23N3O3S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide
PubChem CID119594615
Molecular FormulaC14H23N3O3S2
Molecular Weight345.49 g/mol
Exact Mass345.12
IUPAC NameN-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)N1CCCC(C(C)N)C1
InChIInChI=1S/C14H23N3O3S2/c1-10(15)12-5-3-7-17(9-12)14(18)11(2)16-22(19,20)13-6-4-8-21-13/h4,6,8,10-12,16H,3,5,7,9,15H2,1-2H3
InChIKeyBMXSAZUJTPSYBF-UHFFFAOYSA-N
XLogP1.00
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(thiophen-2-ylsulfonylamino)propanoyl]morpholine-2-carboxylic acid
CID 119240076
N-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide
CID 119544649
N-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide;hydrochloride
CID 119623383
N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide;hydrochloride
CID 119646130
N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide
CID 119662992
1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 99849724
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 99849723
[3-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride
CID 119595244
N-piperidin-4-yl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 119387925
N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride
CID 119491037
[4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone
CID 119517026
(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-methoxy-2-phenylethanone
CID 124677545

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide (CID 119594615) is N-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide is CC(NS(=O)(=O)c1cccs1)C(=O)N1CCCC(C(C)N)C1.
What is the InChIKey of N-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide?
The InChIKey is BMXSAZUJTPSYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S2/c1-10(15)12-5-3-7-17(9-12)14(18)11(2)16-22(19,20)13-6-4-8-21-13/h4,6,8,10-12,16H,3,5,7,9,15H2,1-2H3.
What are the key properties of N-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide?
N-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide has a molecular weight of 345.49 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 119594615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).