N-propyl-4-(2-thiophen-2-ylethyl)thiolan-3-amine

C13H21NS2 — CID 83195896

IUPACN-propyl-4-(2-thiophen-2-ylethyl)thiolan-3-amine
SMILESCCCNC1CSCC1CCc1cccs1
InChIInChI=1S/C13H21NS2/c1-2-7-14-13-10-15-9-11(13)5-6-12-4-3-8-16-12/h3-4,8,11,13-14H,2,5-7,9-10H2,1H3
InChIKeyOHQHBPVAINPPPE-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.41
Rot. Bonds6

About N-propyl-4-(2-thiophen-2-ylethyl)thiolan-3-amine

N-propyl-4-(2-thiophen-2-ylethyl)thiolan-3-amine (PubChem CID 83195896) has the molecular formula C13H21NS2 and a molecular weight of 255.45 g/mol. Its IUPAC name is N-propyl-4-(2-thiophen-2-ylethyl)thiolan-3-amine.

Molecular Properties

Compound NameN-propyl-4-(2-thiophen-2-ylethyl)thiolan-3-amine
PubChem CID83195896
Molecular FormulaC13H21NS2
Molecular Weight255.45 g/mol
Exact Mass255.11
IUPAC NameN-propyl-4-(2-thiophen-2-ylethyl)thiolan-3-amine
SMILESCCCNC1CSCC1CCc1cccs1
InChIInChI=1S/C13H21NS2/c1-2-7-14-13-10-15-9-11(13)5-6-12-4-3-8-16-12/h3-4,8,11,13-14H,2,5-7,9-10H2,1H3
InChIKeyOHQHBPVAINPPPE-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 55237095
N-[[2-(2-thiophen-2-ylethyl)cyclobutyl]methyl]propan-1-amine
CID 81017720
2-methyl-N-propyl-3-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 64907493
4-octyl-N-propylthiolan-3-amine
CID 83196109
4-[2-(2-ethoxyphenoxy)ethyl]-N-propylthiolan-3-amine
CID 83192078
4-(3,3-dimethylbutyl)-N-propylthiolan-3-amine
CID 83196626
N-methyl-2-(2-thiophen-2-ylethyl)cyclopentan-1-amine
CID 63776082
4-N-methyl-1-N-propyl-4-N-(2-thiophen-2-ylethyl)cyclohexane-1,4-diamine
CID 114763470
4-[(2-fluorophenyl)methyl]-N-propylthiolan-3-amine
CID 83196101
4-tert-butyl-N-propyl-2-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 63401632
(2S,3R)-2-methyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine
CID 97358153
N-propyl-2-(2-thiophen-2-ylsulfanylethyl)cyclopentan-1-amine
CID 79573057

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(2-thiophen-2-ylethyl)thiolan-3-amine?
The IUPAC name of N-propyl-4-(2-thiophen-2-ylethyl)thiolan-3-amine (CID 83195896) is N-propyl-4-(2-thiophen-2-ylethyl)thiolan-3-amine.
What is the SMILES notation for N-propyl-4-(2-thiophen-2-ylethyl)thiolan-3-amine?
The canonical SMILES for N-propyl-4-(2-thiophen-2-ylethyl)thiolan-3-amine is CCCNC1CSCC1CCc1cccs1.
What is the InChIKey of N-propyl-4-(2-thiophen-2-ylethyl)thiolan-3-amine?
The InChIKey is OHQHBPVAINPPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS2/c1-2-7-14-13-10-15-9-11(13)5-6-12-4-3-8-16-12/h3-4,8,11,13-14H,2,5-7,9-10H2,1H3.
What are the key properties of N-propyl-4-(2-thiophen-2-ylethyl)thiolan-3-amine?
N-propyl-4-(2-thiophen-2-ylethyl)thiolan-3-amine has a molecular weight of 255.45 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(2-thiophen-2-ylethyl)thiolan-3-amine is sourced from PubChem (CID 83195896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).