(4-methyl-1-thiophen-2-ylsulfonylpiperidin-3-yl)methanamine

C11H18N2O2S2 — CID 114960944

IUPAC(4-methyl-1-thiophen-2-ylsulfonylpiperidin-3-yl)methanamine
SMILESCC1CCN(S(=O)(=O)c2cccs2)CC1CN
InChIInChI=1S/C11H18N2O2S2/c1-9-4-5-13(8-10(9)7-12)17(14,15)11-3-2-6-16-11/h2-3,6,9-10H,4-5,7-8,12H2,1H3
InChIKeyBLSQNSBXEUZXDW-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.35
Rot. Bonds3

About (4-methyl-1-thiophen-2-ylsulfonylpiperidin-3-yl)methanamine

(4-methyl-1-thiophen-2-ylsulfonylpiperidin-3-yl)methanamine (PubChem CID 114960944) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is (4-methyl-1-thiophen-2-ylsulfonylpiperidin-3-yl)methanamine.

Molecular Properties

Compound Name(4-methyl-1-thiophen-2-ylsulfonylpiperidin-3-yl)methanamine
PubChem CID114960944
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Name(4-methyl-1-thiophen-2-ylsulfonylpiperidin-3-yl)methanamine
SMILESCC1CCN(S(=O)(=O)c2cccs2)CC1CN
InChIInChI=1S/C11H18N2O2S2/c1-9-4-5-13(8-10(9)7-12)17(14,15)11-3-2-6-16-11/h2-3,6,9-10H,4-5,7-8,12H2,1H3
InChIKeyBLSQNSBXEUZXDW-UHFFFAOYSA-N
XLogP1.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine;hydrochloride
CID 119984000
1-thiophen-2-ylsulfonylpyrrolidin-3-amine
CID 62069517
[1-(2-methoxyphenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960870
[1-(2-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960772
[1-(4-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960912
4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597
[1-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-ylsulfonyl)-4-methylpiperidin-3-yl]methanamine
CID 114960814
[4-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-yl]methanamine
CID 114960919
(3S)-3-methyl-1-thiophen-2-ylsulfonylpiperazine
CID 66582369
2-methyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine
CID 42930811
[1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960842
4-[3-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylbenzonitrile
CID 114960916

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1-thiophen-2-ylsulfonylpiperidin-3-yl)methanamine?
The IUPAC name of (4-methyl-1-thiophen-2-ylsulfonylpiperidin-3-yl)methanamine (CID 114960944) is (4-methyl-1-thiophen-2-ylsulfonylpiperidin-3-yl)methanamine.
What is the SMILES notation for (4-methyl-1-thiophen-2-ylsulfonylpiperidin-3-yl)methanamine?
The canonical SMILES for (4-methyl-1-thiophen-2-ylsulfonylpiperidin-3-yl)methanamine is CC1CCN(S(=O)(=O)c2cccs2)CC1CN.
What is the InChIKey of (4-methyl-1-thiophen-2-ylsulfonylpiperidin-3-yl)methanamine?
The InChIKey is BLSQNSBXEUZXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-9-4-5-13(8-10(9)7-12)17(14,15)11-3-2-6-16-11/h2-3,6,9-10H,4-5,7-8,12H2,1H3.
What are the key properties of (4-methyl-1-thiophen-2-ylsulfonylpiperidin-3-yl)methanamine?
(4-methyl-1-thiophen-2-ylsulfonylpiperidin-3-yl)methanamine has a molecular weight of 274.41 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1-thiophen-2-ylsulfonylpiperidin-3-yl)methanamine is sourced from PubChem (CID 114960944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).