1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-3-methylpiperidin-4-amine

C10H14ClN3O4S2 — CID 80746574

IUPAC1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-3-methylpiperidin-4-amine
SMILESCC1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)s2)CCC1N
InChIInChI=1S/C10H14ClN3O4S2/c1-6-5-13(3-2-7(6)12)20(17,18)9-4-8(14(15)16)10(11)19-9/h4,6-7H,2-3,5,12H2,1H3
InChIKeyNPZHTXXYUAUDSQ-UHFFFAOYSA-N
MW339.83 g/mol
LogP1.67
Rot. Bonds3

About 1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-3-methylpiperidin-4-amine

1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-3-methylpiperidin-4-amine (PubChem CID 80746574) has the molecular formula C10H14ClN3O4S2 and a molecular weight of 339.83 g/mol. Its IUPAC name is 1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-3-methylpiperidin-4-amine
PubChem CID80746574
Molecular FormulaC10H14ClN3O4S2
Molecular Weight339.83 g/mol
Exact Mass339.01
IUPAC Name1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-3-methylpiperidin-4-amine
SMILESCC1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)s2)CCC1N
InChIInChI=1S/C10H14ClN3O4S2/c1-6-5-13(3-2-7(6)12)20(17,18)9-4-8(14(15)16)10(11)19-9/h4,6-7H,2-3,5,12H2,1H3
InChIKeyNPZHTXXYUAUDSQ-UHFFFAOYSA-N
XLogP1.67
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-3-methylpiperidin-4-amine 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-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-3-ethylpiperidin-4-amine
CID 81452738
1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-3-methylpyrrolidine
CID 80742308
[1-(5-chloro-4-nitrothiophen-2-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 80742140
1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 80734863
2-[1-(5-chloro-4-nitrothiophen-2-yl)sulfonylpyrrolidin-3-yl]ethanol
CID 114797404
1-(5-chloro-4-nitrothiophen-2-yl)sulfonylpyrrolidine-3,4-diol
CID 106668722
(3R,4S)-1-(5-chloro-4-nitrothiophen-2-yl)sulfonylpyrrolidine-3,4-diol
CID 80742267
1-(5-chloro-4-nitrothiophen-2-yl)sulfonylpiperidine-3-carboxylic acid
CID 80736027
1-(4-chloro-2-nitrophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984069
[1-(5-chloro-4-nitrothiophen-2-yl)sulfonylpiperidin-3-yl]methanamine
CID 80742538
1-(5-amino-4-nitrothiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol
CID 102964425
(2S,6R)-1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-2,6-dimethylpiperidine
CID 104967304

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-3-methylpiperidin-4-amine?
The IUPAC name of 1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-3-methylpiperidin-4-amine (CID 80746574) is 1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-3-methylpiperidin-4-amine?
The canonical SMILES for 1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-3-methylpiperidin-4-amine is CC1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)s2)CCC1N.
What is the InChIKey of 1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-3-methylpiperidin-4-amine?
The InChIKey is NPZHTXXYUAUDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O4S2/c1-6-5-13(3-2-7(6)12)20(17,18)9-4-8(14(15)16)10(11)19-9/h4,6-7H,2-3,5,12H2,1H3.
What are the key properties of 1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-3-methylpiperidin-4-amine?
1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-3-methylpiperidin-4-amine has a molecular weight of 339.83 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-3-methylpiperidin-4-amine is sourced from PubChem (CID 80746574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).