(2R)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)azepane

C15H19NS2 — CID 92878241

IUPAC(2R)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)azepane
SMILESc1csc(CN2CCCCC[C@@H]2c2cccs2)c1
InChIInChI=1S/C15H19NS2/c1-2-7-14(15-8-5-11-18-15)16(9-3-1)12-13-6-4-10-17-13/h4-6,8,10-11,14H,1-3,7,9,12H2/t14-/m1/s1
InChIKeyFBNWIKFDFYIHBM-CQSZACIVSA-N
MW277.46 g/mol
LogP4.93
Rot. Bonds3

About (2R)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)azepane

(2R)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)azepane (PubChem CID 92878241) has the molecular formula C15H19NS2 and a molecular weight of 277.46 g/mol. Its IUPAC name is (2R)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)azepane.

Molecular Properties

Compound Name(2R)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)azepane
PubChem CID92878241
Molecular FormulaC15H19NS2
Molecular Weight277.46 g/mol
Exact Mass277.10
IUPAC Name(2R)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)azepane
SMILESc1csc(CN2CCCCC[C@@H]2c2cccs2)c1
InChIInChI=1S/C15H19NS2/c1-2-7-14(15-8-5-11-18-15)16(9-3-1)12-13-6-4-10-17-13/h4-6,8,10-11,14H,1-3,7,9,12H2/t14-/m1/s1
InChIKeyFBNWIKFDFYIHBM-CQSZACIVSA-N
XLogP4.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(4-bromophenyl)methyl]-2-thiophen-2-ylazepane
CID 92878093
1-[(4-ethylphenyl)methyl]-2-thiophen-2-ylazepane
CID 46366576
(2S)-1-[(2-fluorophenyl)methyl]-2-thiophen-2-ylazepane
CID 92878201
(2R)-1-[(2,4-difluorophenyl)methyl]-2-thiophen-2-ylazepane
CID 92878210
1-butyl-2-thiophen-2-ylpiperidine
CID 102544362
2,6-dimethoxy-4-[(2-thiophen-2-ylazepan-1-yl)methyl]phenol
CID 46366495
(2R)-1-[(4-propoxyphenyl)methyl]-2-thiophen-2-ylazepane
CID 92878166
2-(1,3-dioxolan-2-yl)-1-(thiophen-2-ylmethyl)piperidine
CID 84593778
(2R)-1-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylazepane
CID 92878118
methyl 4-[[(2R)-2-thiophen-2-ylazepan-1-yl]methyl]benzoate
CID 92877986
2-methyl-4-[1-(thiophen-2-ylmethyl)piperidin-2-yl]pyrimidine
CID 127244795
2-methoxy-4-[(2-thiophen-2-ylazepan-1-yl)methyl]phenol
CID 46366605

Frequently Asked Questions

What is the IUPAC name of (2R)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)azepane?
The IUPAC name of (2R)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)azepane (CID 92878241) is (2R)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)azepane.
What is the SMILES notation for (2R)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)azepane?
The canonical SMILES for (2R)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)azepane is c1csc(CN2CCCCC[C@@H]2c2cccs2)c1.
What is the InChIKey of (2R)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)azepane?
The InChIKey is FBNWIKFDFYIHBM-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19NS2/c1-2-7-14(15-8-5-11-18-15)16(9-3-1)12-13-6-4-10-17-13/h4-6,8,10-11,14H,1-3,7,9,12H2/t14-/m1/s1.
What are the key properties of (2R)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)azepane?
(2R)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)azepane has a molecular weight of 277.46 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)azepane is sourced from PubChem (CID 92878241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).