3-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine;hydrochloride

C10H17ClN2O2S2 — CID 119984000

IUPAC3-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2cccs2)CCC1N.Cl
InChIInChI=1S/C10H16N2O2S2.ClH/c1-8-7-12(5-4-9(8)11)16(13,14)10-3-2-6-15-10;/h2-3,6,8-9H,4-5,7,11H2,1H3;1H
InChIKeyFCNYYQUUALIITH-UHFFFAOYSA-N
MW296.84 g/mol
LogP1.53
Rot. Bonds2

About 3-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine;hydrochloride

3-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine;hydrochloride (PubChem CID 119984000) has the molecular formula C10H17ClN2O2S2 and a molecular weight of 296.84 g/mol. Its IUPAC name is 3-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name3-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine;hydrochloride
PubChem CID119984000
Molecular FormulaC10H17ClN2O2S2
Molecular Weight296.84 g/mol
Exact Mass296.04
IUPAC Name3-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2cccs2)CCC1N.Cl
InChIInChI=1S/C10H16N2O2S2.ClH/c1-8-7-12(5-4-9(8)11)16(13,14)10-3-2-6-15-10;/h2-3,6,8-9H,4-5,7,11H2,1H3;1H
InChIKeyFCNYYQUUALIITH-UHFFFAOYSA-N
XLogP1.53
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-1-thiophen-2-ylsulfonylpiperidin-3-yl)methanamine
CID 114960944
1-thiophen-2-ylsulfonylpyrrolidin-3-amine
CID 62069517
(3S)-3-methyl-1-thiophen-2-ylsulfonylpiperazine
CID 66582369
2-methyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine
CID 42930811
4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597
1-(3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984029
2,6-dimethyl-4-thiophen-2-ylsulfonylmorpholine
CID 2942574
(3S,4R)-4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 120766691
1-(3,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984112
3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119984054
(3S)-3-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine
CID 95632946
2-thiophen-2-ylsulfonyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49246031

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine;hydrochloride?
The IUPAC name of 3-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine;hydrochloride (CID 119984000) is 3-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 3-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 3-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine;hydrochloride is CC1CN(S(=O)(=O)c2cccs2)CCC1N.Cl.
What is the InChIKey of 3-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine;hydrochloride?
The InChIKey is FCNYYQUUALIITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S2.ClH/c1-8-7-12(5-4-9(8)11)16(13,14)10-3-2-6-15-10;/h2-3,6,8-9H,4-5,7,11H2,1H3;1H.
What are the key properties of 3-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine;hydrochloride?
3-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119984000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).