N-cyclopropyl-2,5-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-amine

C12H17NS — CID 112716170

IUPACN-cyclopropyl-2,5-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-amine
SMILESCc1cc2c(s1)C(NC1CC1)C(C)C2
InChIInChI=1S/C12H17NS/c1-7-5-9-6-8(2)14-12(9)11(7)13-10-3-4-10/h6-7,10-11,13H,3-5H2,1-2H3
InChIKeySLFXDQRVFHSMJH-UHFFFAOYSA-N
MW207.34 g/mol
LogP3.04
Rot. Bonds2

About N-cyclopropyl-2,5-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-amine

N-cyclopropyl-2,5-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-amine (PubChem CID 112716170) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is N-cyclopropyl-2,5-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-amine.

Molecular Properties

Compound NameN-cyclopropyl-2,5-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-amine
PubChem CID112716170
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC NameN-cyclopropyl-2,5-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-amine
SMILESCc1cc2c(s1)C(NC1CC1)C(C)C2
InChIInChI=1S/C12H17NS/c1-7-5-9-6-8(2)14-12(9)11(7)13-10-3-4-10/h6-7,10-11,13H,3-5H2,1-2H3
InChIKeySLFXDQRVFHSMJH-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,5-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-amine?
The IUPAC name of N-cyclopropyl-2,5-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-amine (CID 112716170) is N-cyclopropyl-2,5-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-amine.
What is the SMILES notation for N-cyclopropyl-2,5-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-amine?
The canonical SMILES for N-cyclopropyl-2,5-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-amine is Cc1cc2c(s1)C(NC1CC1)C(C)C2.
What is the InChIKey of N-cyclopropyl-2,5-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-amine?
The InChIKey is SLFXDQRVFHSMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-7-5-9-6-8(2)14-12(9)11(7)13-10-3-4-10/h6-7,10-11,13H,3-5H2,1-2H3.
What are the key properties of N-cyclopropyl-2,5-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-amine?
N-cyclopropyl-2,5-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-amine has a molecular weight of 207.34 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,5-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-6-amine is sourced from PubChem (CID 112716170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).