[1-(5-chlorothiophen-2-yl)sulfonyl-4-methoxypiperidin-2-yl]methanamine

C11H17ClN2O3S2 — CID 112622460

IUPAC[1-(5-chlorothiophen-2-yl)sulfonyl-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(S(=O)(=O)c2ccc(Cl)s2)C(CN)C1
InChIInChI=1S/C11H17ClN2O3S2/c1-17-9-4-5-14(8(6-9)7-13)19(15,16)11-3-2-10(12)18-11/h2-3,8-9H,4-7,13H2,1H3
InChIKeyADHAWSWOHLOKSJ-UHFFFAOYSA-N
MW324.86 g/mol
LogP1.53
Rot. Bonds4

About [1-(5-chlorothiophen-2-yl)sulfonyl-4-methoxypiperidin-2-yl]methanamine

[1-(5-chlorothiophen-2-yl)sulfonyl-4-methoxypiperidin-2-yl]methanamine (PubChem CID 112622460) has the molecular formula C11H17ClN2O3S2 and a molecular weight of 324.86 g/mol. Its IUPAC name is [1-(5-chlorothiophen-2-yl)sulfonyl-4-methoxypiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(5-chlorothiophen-2-yl)sulfonyl-4-methoxypiperidin-2-yl]methanamine
PubChem CID112622460
Molecular FormulaC11H17ClN2O3S2
Molecular Weight324.86 g/mol
Exact Mass324.04
IUPAC Name[1-(5-chlorothiophen-2-yl)sulfonyl-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(S(=O)(=O)c2ccc(Cl)s2)C(CN)C1
InChIInChI=1S/C11H17ClN2O3S2/c1-17-9-4-5-14(8(6-9)7-13)19(15,16)11-3-2-10(12)18-11/h2-3,8-9H,4-7,13H2,1H3
InChIKeyADHAWSWOHLOKSJ-UHFFFAOYSA-N
XLogP1.53
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(5-chlorothiophen-2-yl)sulfonyl-4-methoxypiperidin-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2,6-dichlorophenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120718815
[4-methoxy-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine
CID 112622437
[1-(5-chloro-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120718976
[1-(2,4-dichloro-3-fluorophenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120719012
[1-(4-butan-2-ylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine
CID 120718960
(4-methoxy-1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanamine
CID 120718734
[1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120718961
[1-[4-[(dimethylamino)methyl]phenyl]sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120876159
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypiperidin-2-yl]methanamine
CID 120718968
1-(5-chlorothiophen-2-yl)sulfonyl-2-ethylpiperidine
CID 19682804
[1-(5-bromo-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120718751
[1-(5-fluoro-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120718980

Frequently Asked Questions

What is the IUPAC name of [1-(5-chlorothiophen-2-yl)sulfonyl-4-methoxypiperidin-2-yl]methanamine?
The IUPAC name of [1-(5-chlorothiophen-2-yl)sulfonyl-4-methoxypiperidin-2-yl]methanamine (CID 112622460) is [1-(5-chlorothiophen-2-yl)sulfonyl-4-methoxypiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(5-chlorothiophen-2-yl)sulfonyl-4-methoxypiperidin-2-yl]methanamine?
The canonical SMILES for [1-(5-chlorothiophen-2-yl)sulfonyl-4-methoxypiperidin-2-yl]methanamine is COC1CCN(S(=O)(=O)c2ccc(Cl)s2)C(CN)C1.
What is the InChIKey of [1-(5-chlorothiophen-2-yl)sulfonyl-4-methoxypiperidin-2-yl]methanamine?
The InChIKey is ADHAWSWOHLOKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S2/c1-17-9-4-5-14(8(6-9)7-13)19(15,16)11-3-2-10(12)18-11/h2-3,8-9H,4-7,13H2,1H3.
What are the key properties of [1-(5-chlorothiophen-2-yl)sulfonyl-4-methoxypiperidin-2-yl]methanamine?
[1-(5-chlorothiophen-2-yl)sulfonyl-4-methoxypiperidin-2-yl]methanamine has a molecular weight of 324.86 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chlorothiophen-2-yl)sulfonyl-4-methoxypiperidin-2-yl]methanamine is sourced from PubChem (CID 112622460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).