piperidin-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone

C14H20N2O3S2 — CID 51338450

IUPACpiperidin-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
SMILESO=C(c1sccc1S(=O)(=O)N1CCCC1)N1CCCCC1
InChIInChI=1S/C14H20N2O3S2/c17-14(15-7-2-1-3-8-15)13-12(6-11-20-13)21(18,19)16-9-4-5-10-16/h6,11H,1-5,7-10H2
InChIKeyLNGJZPSPWKDGCV-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.16
Rot. Bonds3

About piperidin-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone

piperidin-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone (PubChem CID 51338450) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is piperidin-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
PubChem CID51338450
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC Namepiperidin-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
SMILESO=C(c1sccc1S(=O)(=O)N1CCCC1)N1CCCCC1
InChIInChI=1S/C14H20N2O3S2/c17-14(15-7-2-1-3-8-15)13-12(6-11-20-13)21(18,19)16-9-4-5-10-16/h6,11H,1-5,7-10H2
InChIKeyLNGJZPSPWKDGCV-UHFFFAOYSA-N
XLogP2.16
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperazin-1-yl)-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
CID 134033914
1,4-diazepan-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119414812
2,2-dimethyl-1-[4-(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 55588563
[4-(2-methylpropyl)piperazin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
CID 134033896
N,N-diethyl-2-[4-(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 55603050
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
CID 37209168
[3-(methylamino)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119488448
(3-piperidin-1-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56579291
1,4-diazepan-1-yl-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119414929
[3-(aminomethyl)pyrrolidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119483874
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone
CID 55463965
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 24633424

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone?
The IUPAC name of piperidin-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone (CID 51338450) is piperidin-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone?
The canonical SMILES for piperidin-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone is O=C(c1sccc1S(=O)(=O)N1CCCC1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone?
The InChIKey is LNGJZPSPWKDGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S2/c17-14(15-7-2-1-3-8-15)13-12(6-11-20-13)21(18,19)16-9-4-5-10-16/h6,11H,1-5,7-10H2.
What are the key properties of piperidin-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone?
piperidin-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone has a molecular weight of 328.46 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone is sourced from PubChem (CID 51338450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).