(2S)-2-(thiophen-2-ylmethyl)azepane

C11H17NS — CID 94481267

IUPAC(2S)-2-(thiophen-2-ylmethyl)azepane
SMILESc1csc(C[C@@H]2CCCCCN2)c1
InChIInChI=1S/C11H17NS/c1-2-5-10(12-7-3-1)9-11-6-4-8-13-11/h4,6,8,10,12H,1-3,5,7,9H2/t10-/m0/s1
InChIKeyHWKWFCOPNHOYOI-JTQLQIEISA-N
MW195.33 g/mol
LogP2.82
Rot. Bonds2

About (2S)-2-(thiophen-2-ylmethyl)azepane

(2S)-2-(thiophen-2-ylmethyl)azepane (PubChem CID 94481267) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is (2S)-2-(thiophen-2-ylmethyl)azepane.

Molecular Properties

Compound Name(2S)-2-(thiophen-2-ylmethyl)azepane
PubChem CID94481267
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name(2S)-2-(thiophen-2-ylmethyl)azepane
SMILESc1csc(C[C@@H]2CCCCCN2)c1
InChIInChI=1S/C11H17NS/c1-2-5-10(12-7-3-1)9-11-6-4-8-13-11/h4,6,8,10,12H,1-3,5,7,9H2/t10-/m0/s1
InChIKeyHWKWFCOPNHOYOI-JTQLQIEISA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(thiophen-2-ylmethoxymethyl)pyrrolidine
CID 102820124
1-piperidin-2-yl-N-(thiophen-2-ylmethyl)propan-2-amine
CID 79548872
(2R)-2-(2-thiophen-2-ylethoxymethyl)pyrrolidine
CID 102820127
2-[(5-bromothiophen-2-yl)methyl]piperidine
CID 63086364
2-thiophen-2-ylethyl 3-piperidin-2-ylpropanoate
CID 62217215
3-piperidin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 62212619
N-ethyl-N-(piperidin-2-ylmethyl)-4-thiophen-2-ylbutanamide
CID 106626023
N-methyl-N-(thiophen-2-ylmethyl)azepane-2-carboxamide
CID 64563589
N-methyl-3-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 79476302
N,N-bis(thiophen-2-ylmethyl)piperidine-2-carboxamide
CID 60936813
(2S)-2-thiophen-2-ylpiperidine
CID 7022116
2-(piperidin-2-ylmethyl)aniline
CID 84662844

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(thiophen-2-ylmethyl)azepane?
The IUPAC name of (2S)-2-(thiophen-2-ylmethyl)azepane (CID 94481267) is (2S)-2-(thiophen-2-ylmethyl)azepane.
What is the SMILES notation for (2S)-2-(thiophen-2-ylmethyl)azepane?
The canonical SMILES for (2S)-2-(thiophen-2-ylmethyl)azepane is c1csc(C[C@@H]2CCCCCN2)c1.
What is the InChIKey of (2S)-2-(thiophen-2-ylmethyl)azepane?
The InChIKey is HWKWFCOPNHOYOI-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17NS/c1-2-5-10(12-7-3-1)9-11-6-4-8-13-11/h4,6,8,10,12H,1-3,5,7,9H2/t10-/m0/s1.
What are the key properties of (2S)-2-(thiophen-2-ylmethyl)azepane?
(2S)-2-(thiophen-2-ylmethyl)azepane has a molecular weight of 195.33 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(thiophen-2-ylmethyl)azepane is sourced from PubChem (CID 94481267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).