2-chloro-N-(1-thiophen-2-ylbutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

C15H18ClNS2 — CID 81252071

IUPAC2-chloro-N-(1-thiophen-2-ylbutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCCCC(NC1CCc2sc(Cl)cc21)c1cccs1
InChIInChI=1S/C15H18ClNS2/c1-2-4-12(14-5-3-8-18-14)17-11-6-7-13-10(11)9-15(16)19-13/h3,5,8-9,11-12,17H,2,4,6-7H2,1H3
InChIKeyXRCYKFPRKXLVSC-UHFFFAOYSA-N
MW311.90 g/mol
LogP5.58
Rot. Bonds5

About 2-chloro-N-(1-thiophen-2-ylbutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

2-chloro-N-(1-thiophen-2-ylbutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81252071) has the molecular formula C15H18ClNS2 and a molecular weight of 311.90 g/mol. Its IUPAC name is 2-chloro-N-(1-thiophen-2-ylbutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1-thiophen-2-ylbutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81252071
Molecular FormulaC15H18ClNS2
Molecular Weight311.90 g/mol
Exact Mass311.06
IUPAC Name2-chloro-N-(1-thiophen-2-ylbutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCCCC(NC1CCc2sc(Cl)cc21)c1cccs1
InChIInChI=1S/C15H18ClNS2/c1-2-4-12(14-5-3-8-18-14)17-11-6-7-13-10(11)9-15(16)19-13/h3,5,8-9,11-12,17H,2,4,6-7H2,1H3
InChIKeyXRCYKFPRKXLVSC-UHFFFAOYSA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.90
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-(1-thiophen-2-ylbutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-N-pentan-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687335
4-methoxy-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 113414380
N-(1-thiophen-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63454457
2-chloro-N-(1-cyclopropylbutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251862
3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 55194083
2-chloro-N-(1-methoxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252708
N-(1-thiophen-2-ylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754879
3-ethoxy-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine
CID 112553091
3-(3-methylphenyl)-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine
CID 63455867
4-propyl-N-(1-thiophen-2-ylbutyl)cycloheptan-1-amine
CID 65091558
2,2-dimethyl-3-(1-thiophen-2-ylbutylamino)cyclobutan-1-ol
CID 112633907
2-methyl-N-(1-thiophen-2-ylbutyl)thian-3-amine
CID 79957676

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-thiophen-2-ylbutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-(1-thiophen-2-ylbutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81252071) is 2-chloro-N-(1-thiophen-2-ylbutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-(1-thiophen-2-ylbutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-(1-thiophen-2-ylbutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is CCCC(NC1CCc2sc(Cl)cc21)c1cccs1.
What is the InChIKey of 2-chloro-N-(1-thiophen-2-ylbutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is XRCYKFPRKXLVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNS2/c1-2-4-12(14-5-3-8-18-14)17-11-6-7-13-10(11)9-15(16)19-13/h3,5,8-9,11-12,17H,2,4,6-7H2,1H3.
What are the key properties of 2-chloro-N-(1-thiophen-2-ylbutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-(1-thiophen-2-ylbutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 311.90 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-thiophen-2-ylbutyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81252071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).