N-(thiolan-2-ylmethyl)-1-thiophen-2-ylbutan-2-amine

C13H21NS2 — CID 115727693

IUPACN-(thiolan-2-ylmethyl)-1-thiophen-2-ylbutan-2-amine
SMILESCCC(Cc1cccs1)NCC1CCCS1
InChIInChI=1S/C13H21NS2/c1-2-11(9-12-5-3-7-15-12)14-10-13-6-4-8-16-13/h3,5,7,11,13-14H,2,4,6,8-10H2,1H3
InChIKeyUEYZPCBIIYYRAJ-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.55
Rot. Bonds6

About N-(thiolan-2-ylmethyl)-1-thiophen-2-ylbutan-2-amine

N-(thiolan-2-ylmethyl)-1-thiophen-2-ylbutan-2-amine (PubChem CID 115727693) has the molecular formula C13H21NS2 and a molecular weight of 255.45 g/mol. Its IUPAC name is N-(thiolan-2-ylmethyl)-1-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound NameN-(thiolan-2-ylmethyl)-1-thiophen-2-ylbutan-2-amine
PubChem CID115727693
Molecular FormulaC13H21NS2
Molecular Weight255.45 g/mol
Exact Mass255.11
IUPAC NameN-(thiolan-2-ylmethyl)-1-thiophen-2-ylbutan-2-amine
SMILESCCC(Cc1cccs1)NCC1CCCS1
InChIInChI=1S/C13H21NS2/c1-2-11(9-12-5-3-7-15-12)14-10-13-6-4-8-16-13/h3,5,7,11,13-14H,2,4,6,8-10H2,1H3
InChIKeyUEYZPCBIIYYRAJ-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(thiolan-2-ylmethyl)-1-thiophen-2-ylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-thiophen-2-ylbutan-2-ylamino)cyclopentan-1-ol
CID 115891358
2-methyl-N-(1-thiophen-2-ylbutan-2-yl)cyclopentan-1-amine
CID 115889479
N-methyl-1-(thiolan-2-yl)-2-thiophen-2-ylethanamine
CID 80621899
1-(2-fluorophenyl)-N-(thiolan-2-ylmethyl)propan-1-amine
CID 112634293
trans-(1R,3R)-3-[(R)-ethylsulfinyl]-N-[(2R)-1-thiophen-2-ylbutan-2-yl]cyclohexan-1-amine
CID 124856722
N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutan-2-amine
CID 115715034
1-cyclopentyl-N-ethyl-2-thiophen-2-ylethanamine
CID 61065338
1-cyclopentylsulfanyl-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 65140219
1-(4-ethylphenyl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80584060
[1-(1-thiophen-2-ylbutan-2-ylamino)cyclobutyl]methanol
CID 115927963
2-(2-chloro-3-ethylpentyl)thiophene
CID 63520573
2-(thiolan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)guanidine
CID 119161102

Frequently Asked Questions

What is the IUPAC name of N-(thiolan-2-ylmethyl)-1-thiophen-2-ylbutan-2-amine?
The IUPAC name of N-(thiolan-2-ylmethyl)-1-thiophen-2-ylbutan-2-amine (CID 115727693) is N-(thiolan-2-ylmethyl)-1-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for N-(thiolan-2-ylmethyl)-1-thiophen-2-ylbutan-2-amine?
The canonical SMILES for N-(thiolan-2-ylmethyl)-1-thiophen-2-ylbutan-2-amine is CCC(Cc1cccs1)NCC1CCCS1.
What is the InChIKey of N-(thiolan-2-ylmethyl)-1-thiophen-2-ylbutan-2-amine?
The InChIKey is UEYZPCBIIYYRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS2/c1-2-11(9-12-5-3-7-15-12)14-10-13-6-4-8-16-13/h3,5,7,11,13-14H,2,4,6,8-10H2,1H3.
What are the key properties of N-(thiolan-2-ylmethyl)-1-thiophen-2-ylbutan-2-amine?
N-(thiolan-2-ylmethyl)-1-thiophen-2-ylbutan-2-amine has a molecular weight of 255.45 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-2-ylmethyl)-1-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 115727693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).