[4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone

C16H25N3O3S2 — CID 119517026

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone
SMILESCC(N)C1CCN(C(=O)C2CCCN2S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H25N3O3S2/c1-12(17)13-6-9-18(10-7-13)16(20)14-4-2-8-19(14)24(21,22)15-5-3-11-23-15/h3,5,11-14H,2,4,6-10,17H2,1H3
InChIKeyZFIGSJGOKQURBV-UHFFFAOYSA-N
MW371.53 g/mol
LogP1.49
Rot. Bonds4

About [4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone

[4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone (PubChem CID 119517026) has the molecular formula C16H25N3O3S2 and a molecular weight of 371.53 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone
PubChem CID119517026
Molecular FormulaC16H25N3O3S2
Molecular Weight371.53 g/mol
Exact Mass371.13
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone
SMILESCC(N)C1CCN(C(=O)C2CCCN2S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H25N3O3S2/c1-12(17)13-6-9-18(10-7-13)16(20)14-4-2-8-19(14)24(21,22)15-5-3-11-23-15/h3,5,11-14H,2,4,6-10,17H2,1H3
InChIKeyZFIGSJGOKQURBV-UHFFFAOYSA-N
XLogP1.49
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone;hydrochloride
CID 119483565
(3-methylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone
CID 119576574
[4-(1-aminoethyl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride
CID 119517343
2-propan-2-yl-1-thiophen-2-ylsulfonylpyrrolidine
CID 110728294
(2S)-N-[(2R)-2-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 95273287
[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methanone
CID 41398010
(2S)-1-thiophen-2-ylsulfonylpiperidine-2-carbonyl chloride
CID 42281719
N-(2-methyl-6-propan-2-ylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341696
[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone
CID 16803680
[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methanone
CID 41398017
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-2-yl)methanone
CID 16857521
[3-(1-aminoethyl)piperidin-1-yl]-[1-(benzenesulfonyl)piperidin-2-yl]methanone
CID 119592933

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone (CID 119517026) is [4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone is CC(N)C1CCN(C(=O)C2CCCN2S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone?
The InChIKey is ZFIGSJGOKQURBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S2/c1-12(17)13-6-9-18(10-7-13)16(20)14-4-2-8-19(14)24(21,22)15-5-3-11-23-15/h3,5,11-14H,2,4,6-10,17H2,1H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone?
[4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone has a molecular weight of 371.53 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 119517026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).