N-ethyl-1-ethylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-amine

C13H23NS2 — CID 65127910

IUPACN-ethyl-1-ethylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-amine
SMILESCCNC(CSCC)Cc1ccc(CC)s1
InChIInChI=1S/C13H23NS2/c1-4-12-7-8-13(16-12)9-11(14-5-2)10-15-6-3/h7-8,11,14H,4-6,9-10H2,1-3H3
InChIKeyHNEXEJPTDBZFBJ-UHFFFAOYSA-N
MW257.47 g/mol
LogP3.58
Rot. Bonds8

About N-ethyl-1-ethylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-amine

N-ethyl-1-ethylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-amine (PubChem CID 65127910) has the molecular formula C13H23NS2 and a molecular weight of 257.47 g/mol. Its IUPAC name is N-ethyl-1-ethylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-ethylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-amine
PubChem CID65127910
Molecular FormulaC13H23NS2
Molecular Weight257.47 g/mol
Exact Mass257.13
IUPAC NameN-ethyl-1-ethylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-amine
SMILESCCNC(CSCC)Cc1ccc(CC)s1
InChIInChI=1S/C13H23NS2/c1-4-12-7-8-13(16-12)9-11(14-5-2)10-15-6-3/h7-8,11,14H,4-6,9-10H2,1-3H3
InChIKeyHNEXEJPTDBZFBJ-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-ethyl-3-ethylsulfanylpropan-2-amine
CID 65128398
N-ethyl-1-(5-ethylthiophen-2-yl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65132130
N-ethyl-1-(5-ethylthiophen-2-yl)-3-methoxypropan-2-amine
CID 62604111
N-ethyl-1-(5-ethylthiophen-2-yl)decan-2-amine
CID 115842720
N-ethyl-1-(5-ethylthiophen-2-yl)-4-methoxybutan-2-amine
CID 62602949
N-ethyl-1-(5-ethylthiophen-2-yl)-3-propoxypropan-2-amine
CID 55094003
N-ethyl-1-(5-ethylthiophen-2-yl)-5-methoxypentan-2-amine
CID 65092166
1-(2-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 63415364
N-ethyl-1-(5-ethylthiophen-2-yl)-3-methylbutan-2-amine
CID 62600764
N-ethyl-1-(5-ethylthiophen-2-yl)hexan-3-amine
CID 60996677
N-ethyl-1-(5-ethylthiophen-2-yl)-5-thiophen-2-ylpentan-2-amine
CID 105136134
N-ethyl-1-ethylsulfanyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347936

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-ethylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-ethylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-amine (CID 65127910) is N-ethyl-1-ethylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-ethylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-ethylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-amine is CCNC(CSCC)Cc1ccc(CC)s1.
What is the InChIKey of N-ethyl-1-ethylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-amine?
The InChIKey is HNEXEJPTDBZFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS2/c1-4-12-7-8-13(16-12)9-11(14-5-2)10-15-6-3/h7-8,11,14H,4-6,9-10H2,1-3H3.
What are the key properties of N-ethyl-1-ethylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-amine?
N-ethyl-1-ethylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-amine has a molecular weight of 257.47 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-ethylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-amine is sourced from PubChem (CID 65127910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).