N-(1,2-dithiophen-2-ylethyl)-2-methoxycyclopentan-1-amine

C16H21NOS2 — CID 62087490

IUPACN-(1,2-dithiophen-2-ylethyl)-2-methoxycyclopentan-1-amine
SMILESCOC1CCCC1NC(Cc1cccs1)c1cccs1
InChIInChI=1S/C16H21NOS2/c1-18-15-7-2-6-13(15)17-14(16-8-4-10-20-16)11-12-5-3-9-19-12/h3-5,8-10,13-15,17H,2,6-7,11H2,1H3
InChIKeyBPTQVUWONQNOEG-UHFFFAOYSA-N
MW307.48 g/mol
LogP4.25
Rot. Bonds6

About N-(1,2-dithiophen-2-ylethyl)-2-methoxycyclopentan-1-amine

N-(1,2-dithiophen-2-ylethyl)-2-methoxycyclopentan-1-amine (PubChem CID 62087490) has the molecular formula C16H21NOS2 and a molecular weight of 307.48 g/mol. Its IUPAC name is N-(1,2-dithiophen-2-ylethyl)-2-methoxycyclopentan-1-amine.

Molecular Properties

Compound NameN-(1,2-dithiophen-2-ylethyl)-2-methoxycyclopentan-1-amine
PubChem CID62087490
Molecular FormulaC16H21NOS2
Molecular Weight307.48 g/mol
Exact Mass307.11
IUPAC NameN-(1,2-dithiophen-2-ylethyl)-2-methoxycyclopentan-1-amine
SMILESCOC1CCCC1NC(Cc1cccs1)c1cccs1
InChIInChI=1S/C16H21NOS2/c1-18-15-7-2-6-13(15)17-14(16-8-4-10-20-16)11-12-5-3-9-19-12/h3-5,8-10,13-15,17H,2,6-7,11H2,1H3
InChIKeyBPTQVUWONQNOEG-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(2-methyl-1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 43786628
N-(1,2-dithiophen-2-ylethyl)cyclohexanamine
CID 43756050
N-(1,2-dithiophen-2-ylethyl)thiolan-3-amine
CID 103930732
N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine
CID 43783115
N-[(1R)-1-cyclohexylethyl]-1,2-dithiophen-2-ylethanamine
CID 81391508
N-(1-cyclohexylethyl)-1,2-dithiophen-2-ylethanamine
CID 63478173
2-(1-thiophen-2-ylbutan-2-ylamino)cyclopentan-1-ol
CID 115891358
1-cyclopropyl-N-(1,2-dithiophen-2-ylethyl)propan-2-amine
CID 63989311
N-(2-methoxycyclopentyl)thiophene-2-carboxamide
CID 64592899
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
2-[(2-methoxycyclopentyl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 115285471
2-methyl-N-(1-thiophen-2-ylbutan-2-yl)cyclopentan-1-amine
CID 115889479

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dithiophen-2-ylethyl)-2-methoxycyclopentan-1-amine?
The IUPAC name of N-(1,2-dithiophen-2-ylethyl)-2-methoxycyclopentan-1-amine (CID 62087490) is N-(1,2-dithiophen-2-ylethyl)-2-methoxycyclopentan-1-amine.
What is the SMILES notation for N-(1,2-dithiophen-2-ylethyl)-2-methoxycyclopentan-1-amine?
The canonical SMILES for N-(1,2-dithiophen-2-ylethyl)-2-methoxycyclopentan-1-amine is COC1CCCC1NC(Cc1cccs1)c1cccs1.
What is the InChIKey of N-(1,2-dithiophen-2-ylethyl)-2-methoxycyclopentan-1-amine?
The InChIKey is BPTQVUWONQNOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS2/c1-18-15-7-2-6-13(15)17-14(16-8-4-10-20-16)11-12-5-3-9-19-12/h3-5,8-10,13-15,17H,2,6-7,11H2,1H3.
What are the key properties of N-(1,2-dithiophen-2-ylethyl)-2-methoxycyclopentan-1-amine?
N-(1,2-dithiophen-2-ylethyl)-2-methoxycyclopentan-1-amine has a molecular weight of 307.48 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dithiophen-2-ylethyl)-2-methoxycyclopentan-1-amine is sourced from PubChem (CID 62087490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).