N'-[1-(1-benzothiophen-2-yl)cyclohexyl]ethane-1,2-diamine

C16H22N2S — CID 11778118

IUPACN'-[1-(1-benzothiophen-2-yl)cyclohexyl]ethane-1,2-diamine
SMILESNCCNC1(c2cc3ccccc3s2)CCCCC1
InChIInChI=1S/C16H22N2S/c17-10-11-18-16(8-4-1-5-9-16)15-12-13-6-2-3-7-14(13)19-15/h2-3,6-7,12,18H,1,4-5,8-11,17H2
InChIKeyBEWCXECPBGFBQL-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.61
Rot. Bonds4

About N'-[1-(1-benzothiophen-2-yl)cyclohexyl]ethane-1,2-diamine

N'-[1-(1-benzothiophen-2-yl)cyclohexyl]ethane-1,2-diamine (PubChem CID 11778118) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N'-[1-(1-benzothiophen-2-yl)cyclohexyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(1-benzothiophen-2-yl)cyclohexyl]ethane-1,2-diamine
PubChem CID11778118
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN'-[1-(1-benzothiophen-2-yl)cyclohexyl]ethane-1,2-diamine
SMILESNCCNC1(c2cc3ccccc3s2)CCCCC1
InChIInChI=1S/C16H22N2S/c17-10-11-18-16(8-4-1-5-9-16)15-12-13-6-2-3-7-14(13)19-15/h2-3,6-7,12,18H,1,4-5,8-11,17H2
InChIKeyBEWCXECPBGFBQL-UHFFFAOYSA-N
XLogP3.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(1-benzothiophen-2-yl)cyclohexyl]ethane-1,2-diamine?
The IUPAC name of N'-[1-(1-benzothiophen-2-yl)cyclohexyl]ethane-1,2-diamine (CID 11778118) is N'-[1-(1-benzothiophen-2-yl)cyclohexyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(1-benzothiophen-2-yl)cyclohexyl]ethane-1,2-diamine?
The canonical SMILES for N'-[1-(1-benzothiophen-2-yl)cyclohexyl]ethane-1,2-diamine is NCCNC1(c2cc3ccccc3s2)CCCCC1.
What is the InChIKey of N'-[1-(1-benzothiophen-2-yl)cyclohexyl]ethane-1,2-diamine?
The InChIKey is BEWCXECPBGFBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c17-10-11-18-16(8-4-1-5-9-16)15-12-13-6-2-3-7-14(13)19-15/h2-3,6-7,12,18H,1,4-5,8-11,17H2.
What are the key properties of N'-[1-(1-benzothiophen-2-yl)cyclohexyl]ethane-1,2-diamine?
N'-[1-(1-benzothiophen-2-yl)cyclohexyl]ethane-1,2-diamine has a molecular weight of 274.43 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(1-benzothiophen-2-yl)cyclohexyl]ethane-1,2-diamine is sourced from PubChem (CID 11778118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).