1-tert-butylsulfanyl-N-ethyl-3-thiophen-2-ylpropan-2-amine

C13H23NS2 — CID 65132452

IUPAC1-tert-butylsulfanyl-N-ethyl-3-thiophen-2-ylpropan-2-amine
SMILESCCNC(CSC(C)(C)C)Cc1cccs1
InChIInChI=1S/C13H23NS2/c1-5-14-11(10-16-13(2,3)4)9-12-7-6-8-15-12/h6-8,11,14H,5,9-10H2,1-4H3
InChIKeyCFTDZFLQGQJJJJ-UHFFFAOYSA-N
MW257.47 g/mol
LogP3.80
Rot. Bonds6

About 1-tert-butylsulfanyl-N-ethyl-3-thiophen-2-ylpropan-2-amine

1-tert-butylsulfanyl-N-ethyl-3-thiophen-2-ylpropan-2-amine (PubChem CID 65132452) has the molecular formula C13H23NS2 and a molecular weight of 257.47 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-N-ethyl-3-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-tert-butylsulfanyl-N-ethyl-3-thiophen-2-ylpropan-2-amine
PubChem CID65132452
Molecular FormulaC13H23NS2
Molecular Weight257.47 g/mol
Exact Mass257.13
IUPAC Name1-tert-butylsulfanyl-N-ethyl-3-thiophen-2-ylpropan-2-amine
SMILESCCNC(CSC(C)(C)C)Cc1cccs1
InChIInChI=1S/C13H23NS2/c1-5-14-11(10-16-13(2,3)4)9-12-7-6-8-15-12/h6-8,11,14H,5,9-10H2,1-4H3
InChIKeyCFTDZFLQGQJJJJ-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

(1-tert-butylsulfanyl-3-thiophen-2-ylpropan-2-yl)hydrazine
CID 105226579
N-ethyl-1-propylsulfanyl-3-thiophen-2-ylpropan-2-amine
CID 65129208
1-tert-butylsulfanyl-3-thiophen-2-ylpropan-2-amine
CID 65132598
N-ethyl-5-methyl-1-thiophen-2-ylhexan-2-amine
CID 61065868
1-tert-butylsulfanyl-N-ethyl-3-(furan-2-yl)propan-2-amine
CID 83174851
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
1-(4-tert-butylphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine
CID 65133115
2-methyl-2-(1-thiophen-2-ylbutan-2-ylamino)propan-1-ol
CID 115927429
N-ethyl-5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-amine
CID 105134154
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
N-ethyl-1-ethylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65128461

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-N-ethyl-3-thiophen-2-ylpropan-2-amine?
The IUPAC name of 1-tert-butylsulfanyl-N-ethyl-3-thiophen-2-ylpropan-2-amine (CID 65132452) is 1-tert-butylsulfanyl-N-ethyl-3-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1-tert-butylsulfanyl-N-ethyl-3-thiophen-2-ylpropan-2-amine?
The canonical SMILES for 1-tert-butylsulfanyl-N-ethyl-3-thiophen-2-ylpropan-2-amine is CCNC(CSC(C)(C)C)Cc1cccs1.
What is the InChIKey of 1-tert-butylsulfanyl-N-ethyl-3-thiophen-2-ylpropan-2-amine?
The InChIKey is CFTDZFLQGQJJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS2/c1-5-14-11(10-16-13(2,3)4)9-12-7-6-8-15-12/h6-8,11,14H,5,9-10H2,1-4H3.
What are the key properties of 1-tert-butylsulfanyl-N-ethyl-3-thiophen-2-ylpropan-2-amine?
1-tert-butylsulfanyl-N-ethyl-3-thiophen-2-ylpropan-2-amine has a molecular weight of 257.47 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-N-ethyl-3-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 65132452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).