N-ethyl-1-propylsulfanyl-3-thiophen-2-ylpropan-2-amine

C12H21NS2 — CID 65129208

IUPACN-ethyl-1-propylsulfanyl-3-thiophen-2-ylpropan-2-amine
SMILESCCCSCC(Cc1cccs1)NCC
InChIInChI=1S/C12H21NS2/c1-3-7-14-10-11(13-4-2)9-12-6-5-8-15-12/h5-6,8,11,13H,3-4,7,9-10H2,1-2H3
InChIKeyYCLARZLKZBNGSV-UHFFFAOYSA-N
MW243.44 g/mol
LogP3.41
Rot. Bonds8

About N-ethyl-1-propylsulfanyl-3-thiophen-2-ylpropan-2-amine

N-ethyl-1-propylsulfanyl-3-thiophen-2-ylpropan-2-amine (PubChem CID 65129208) has the molecular formula C12H21NS2 and a molecular weight of 243.44 g/mol. Its IUPAC name is N-ethyl-1-propylsulfanyl-3-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-propylsulfanyl-3-thiophen-2-ylpropan-2-amine
PubChem CID65129208
Molecular FormulaC12H21NS2
Molecular Weight243.44 g/mol
Exact Mass243.11
IUPAC NameN-ethyl-1-propylsulfanyl-3-thiophen-2-ylpropan-2-amine
SMILESCCCSCC(Cc1cccs1)NCC
InChIInChI=1S/C12H21NS2/c1-3-7-14-10-11(13-4-2)9-12-6-5-8-15-12/h5-6,8,11,13H,3-4,7,9-10H2,1-2H3
InChIKeyYCLARZLKZBNGSV-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 53.41
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

N-ethyl-1-propylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65128746
1-tert-butylsulfanyl-N-ethyl-3-thiophen-2-ylpropan-2-amine
CID 65132452
N-ethyl-5-methyl-1-thiophen-2-ylhexan-2-amine
CID 61065868
N-ethyl-1-ethylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65128461
1-(2,6-dichlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 65128864
N-ethyl-1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine
CID 79574610
N-ethyl-1-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 62604911
N-ethyl-1-propylsulfanyl-3-pyridin-3-ylpropan-2-amine
CID 104736344
N-ethyl-5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-amine
CID 105134154
1-(3-chlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 65128510
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
1-(3,5-dimethylphenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 65128565

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-propylsulfanyl-3-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-ethyl-1-propylsulfanyl-3-thiophen-2-ylpropan-2-amine (CID 65129208) is N-ethyl-1-propylsulfanyl-3-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-ethyl-1-propylsulfanyl-3-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-ethyl-1-propylsulfanyl-3-thiophen-2-ylpropan-2-amine is CCCSCC(Cc1cccs1)NCC.
What is the InChIKey of N-ethyl-1-propylsulfanyl-3-thiophen-2-ylpropan-2-amine?
The InChIKey is YCLARZLKZBNGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS2/c1-3-7-14-10-11(13-4-2)9-12-6-5-8-15-12/h5-6,8,11,13H,3-4,7,9-10H2,1-2H3.
What are the key properties of N-ethyl-1-propylsulfanyl-3-thiophen-2-ylpropan-2-amine?
N-ethyl-1-propylsulfanyl-3-thiophen-2-ylpropan-2-amine has a molecular weight of 243.44 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-propylsulfanyl-3-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 65129208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).