1-(4-methoxythiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine

C12H19N3O4S2 — CID 79461060

IUPAC1-(4-methoxythiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESCOc1csc(C(=O)N2CCCC(CNS(N)(=O)=O)C2)c1
InChIInChI=1S/C12H19N3O4S2/c1-19-10-5-11(20-8-10)12(16)15-4-2-3-9(7-15)6-14-21(13,17)18/h5,8-9,14H,2-4,6-7H2,1H3,(H2,13,17,18)
InChIKeyLOMFYPJKBBHPQI-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.40
Rot. Bonds5

About 1-(4-methoxythiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine

1-(4-methoxythiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine (PubChem CID 79461060) has the molecular formula C12H19N3O4S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-(4-methoxythiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine.

Molecular Properties

Compound Name1-(4-methoxythiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
PubChem CID79461060
Molecular FormulaC12H19N3O4S2
Molecular Weight333.44 g/mol
Exact Mass333.08
IUPAC Name1-(4-methoxythiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESCOc1csc(C(=O)N2CCCC(CNS(N)(=O)=O)C2)c1
InChIInChI=1S/C12H19N3O4S2/c1-19-10-5-11(20-8-10)12(16)15-4-2-3-9(7-15)6-14-21(13,17)18/h5,8-9,14H,2-4,6-7H2,1H3,(H2,13,17,18)
InChIKeyLOMFYPJKBBHPQI-UHFFFAOYSA-N
XLogP0.40
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4,5-dimethylthiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 64722138
(4-methoxythiophen-2-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124572642
[3-(1-aminoethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone
CID 81119549
(4-methoxythiophen-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491500
1-(4,5-dibromothiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 80534447
7-methoxy-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridine
CID 167788405
N-(2-aminoethyl)-1-(4-methoxythiophene-2-carbonyl)piperidine-3-carboxamide
CID 81121460
4-methoxy-N-[[(3S)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 25370158
[3-(methoxymethyl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 52992866
phenyl 3-[(sulfamoylamino)methyl]piperidine-1-carboxylate
CID 61132158
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methoxythiophen-2-yl)methanone
CID 81122202
[4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone
CID 103720299

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxythiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine?
The IUPAC name of 1-(4-methoxythiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine (CID 79461060) is 1-(4-methoxythiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine.
What is the SMILES notation for 1-(4-methoxythiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine?
The canonical SMILES for 1-(4-methoxythiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine is COc1csc(C(=O)N2CCCC(CNS(N)(=O)=O)C2)c1.
What is the InChIKey of 1-(4-methoxythiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine?
The InChIKey is LOMFYPJKBBHPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S2/c1-19-10-5-11(20-8-10)12(16)15-4-2-3-9(7-15)6-14-21(13,17)18/h5,8-9,14H,2-4,6-7H2,1H3,(H2,13,17,18).
What are the key properties of 1-(4-methoxythiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine?
1-(4-methoxythiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine has a molecular weight of 333.44 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxythiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine is sourced from PubChem (CID 79461060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).