N-(2-thiophen-2-ylsulfanylethyl)hexan-1-amine

C12H21NS2 — CID 62576495

IUPACN-(2-thiophen-2-ylsulfanylethyl)hexan-1-amine
SMILESCCCCCCNCCSc1cccs1
InChIInChI=1S/C12H21NS2/c1-2-3-4-5-8-13-9-11-15-12-7-6-10-14-12/h6-7,10,13H,2-5,8-9,11H2,1H3
InChIKeyOBCJXPRTXRBDSW-UHFFFAOYSA-N
MW243.44 g/mol
LogP4.01
Rot. Bonds9

About N-(2-thiophen-2-ylsulfanylethyl)hexan-1-amine

N-(2-thiophen-2-ylsulfanylethyl)hexan-1-amine (PubChem CID 62576495) has the molecular formula C12H21NS2 and a molecular weight of 243.44 g/mol. Its IUPAC name is N-(2-thiophen-2-ylsulfanylethyl)hexan-1-amine.

Molecular Properties

Compound NameN-(2-thiophen-2-ylsulfanylethyl)hexan-1-amine
PubChem CID62576495
Molecular FormulaC12H21NS2
Molecular Weight243.44 g/mol
Exact Mass243.11
IUPAC NameN-(2-thiophen-2-ylsulfanylethyl)hexan-1-amine
SMILESCCCCCCNCCSc1cccs1
InChIInChI=1S/C12H21NS2/c1-2-3-4-5-8-13-9-11-15-12-7-6-10-14-12/h6-7,10,13H,2-5,8-9,11H2,1H3
InChIKeyOBCJXPRTXRBDSW-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine
CID 62578159
4-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)butan-1-amine
CID 62578158
N-butyl-5-thiophen-2-ylpentan-1-amine
CID 83980454
N-propyl-5-thiophen-2-ylsulfanylpentan-2-amine
CID 64612532
N-[2-(4-chlorophenyl)sulfanylethyl]hexan-1-amine
CID 60661954
N-propyl-6-thiophen-2-ylsulfanylhexan-3-amine
CID 106808177
N-butyl-4-thiophen-2-ylbutan-1-amine
CID 60984563
4-methyl-N-(2-thiophen-2-ylsulfanylethyl)cyclohexan-1-amine
CID 62577729
N-[2-(4-bromophenyl)sulfanylethyl]pentan-1-amine
CID 60690697
N-(3-thiophen-2-ylsulfanylpropyl)acetamide
CID 58169495
2-methyl-N-(2-thiophen-2-ylsulfanylethyl)aniline
CID 62577112
N-(4-pyridin-4-ylsulfanylbutyl)octan-1-amine
CID 19079129

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylsulfanylethyl)hexan-1-amine?
The IUPAC name of N-(2-thiophen-2-ylsulfanylethyl)hexan-1-amine (CID 62576495) is N-(2-thiophen-2-ylsulfanylethyl)hexan-1-amine.
What is the SMILES notation for N-(2-thiophen-2-ylsulfanylethyl)hexan-1-amine?
The canonical SMILES for N-(2-thiophen-2-ylsulfanylethyl)hexan-1-amine is CCCCCCNCCSc1cccs1.
What is the InChIKey of N-(2-thiophen-2-ylsulfanylethyl)hexan-1-amine?
The InChIKey is OBCJXPRTXRBDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS2/c1-2-3-4-5-8-13-9-11-15-12-7-6-10-14-12/h6-7,10,13H,2-5,8-9,11H2,1H3.
What are the key properties of N-(2-thiophen-2-ylsulfanylethyl)hexan-1-amine?
N-(2-thiophen-2-ylsulfanylethyl)hexan-1-amine has a molecular weight of 243.44 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylsulfanylethyl)hexan-1-amine is sourced from PubChem (CID 62576495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).