[3-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-2-yl]methanamine

C11H18N2O2S2 — CID 26585324

IUPAC[3-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-2-yl]methanamine
SMILESC[C@H]1CCCCN1S(=O)(=O)c1ccsc1CN
InChIInChI=1S/C11H18N2O2S2/c1-9-4-2-3-6-13(9)17(14,15)11-5-7-16-10(11)8-12/h5,7,9H,2-4,6,8,12H2,1H3/t9-/m0/s1
InChIKeyQZCGHWDOVGCECW-VIFPVBQESA-N
MW274.41 g/mol
LogP1.77
Rot. Bonds3

About [3-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-2-yl]methanamine

[3-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-2-yl]methanamine (PubChem CID 26585324) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is [3-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[3-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-2-yl]methanamine
PubChem CID26585324
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Name[3-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-2-yl]methanamine
SMILESC[C@H]1CCCCN1S(=O)(=O)c1ccsc1CN
InChIInChI=1S/C11H18N2O2S2/c1-9-4-2-3-6-13(9)17(14,15)11-5-7-16-10(11)8-12/h5,7,9H,2-4,6,8,12H2,1H3/t9-/m0/s1
InChIKeyQZCGHWDOVGCECW-VIFPVBQESA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)sulfonyl]thiophen-2-yl]methanamine
CID 79919969
[3-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
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[3-(3-methoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 103541448
1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpiperidine
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CID 60844957
2-(aminomethyl)-N-(2-methylcyclohexyl)thiophene-3-sulfonamide
CID 114132163
4-(2-methylpiperidin-1-yl)sulfonyl-3-nitroaniline
CID 62148619
1-(2,5-dibromophenyl)sulfonyl-2-methylpiperidine
CID 5025166
1-ethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine
CID 60814183
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
3-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-amine
CID 60844774
3-amino-4-(2-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 81470807

Frequently Asked Questions

What is the IUPAC name of [3-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-2-yl]methanamine?
The IUPAC name of [3-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-2-yl]methanamine (CID 26585324) is [3-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-2-yl]methanamine.
What is the SMILES notation for [3-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-2-yl]methanamine?
The canonical SMILES for [3-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-2-yl]methanamine is C[C@H]1CCCCN1S(=O)(=O)c1ccsc1CN.
What is the InChIKey of [3-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-2-yl]methanamine?
The InChIKey is QZCGHWDOVGCECW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-9-4-2-3-6-13(9)17(14,15)11-5-7-16-10(11)8-12/h5,7,9H,2-4,6,8,12H2,1H3/t9-/m0/s1.
What are the key properties of [3-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-2-yl]methanamine?
[3-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-2-yl]methanamine has a molecular weight of 274.41 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-2-yl]methanamine is sourced from PubChem (CID 26585324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).