2-chloro-4-(1-methylcyclopropyl)thiophen-3-amine

C8H10ClNS — CID 114749390

IUPAC2-chloro-4-(1-methylcyclopropyl)thiophen-3-amine
SMILESCC1(c2csc(Cl)c2N)CC1
InChIInChI=1S/C8H10ClNS/c1-8(2-3-8)5-4-11-7(9)6(5)10/h4H,2-3,10H2,1H3
InChIKeyXBHKHNZKNFVMDX-UHFFFAOYSA-N
MW187.70 g/mol
LogP3.04
Rot. Bonds1

About 2-chloro-4-(1-methylcyclopropyl)thiophen-3-amine

2-chloro-4-(1-methylcyclopropyl)thiophen-3-amine (PubChem CID 114749390) has the molecular formula C8H10ClNS and a molecular weight of 187.70 g/mol. Its IUPAC name is 2-chloro-4-(1-methylcyclopropyl)thiophen-3-amine.

Molecular Properties

Compound Name2-chloro-4-(1-methylcyclopropyl)thiophen-3-amine
PubChem CID114749390
Molecular FormulaC8H10ClNS
Molecular Weight187.70 g/mol
Exact Mass187.02
IUPAC Name2-chloro-4-(1-methylcyclopropyl)thiophen-3-amine
SMILESCC1(c2csc(Cl)c2N)CC1
InChIInChI=1S/C8H10ClNS/c1-8(2-3-8)5-4-11-7(9)6(5)10/h4H,2-3,10H2,1H3
InChIKeyXBHKHNZKNFVMDX-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.70
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-methylcyclopropyl)thiophen-3-amine?
The IUPAC name of 2-chloro-4-(1-methylcyclopropyl)thiophen-3-amine (CID 114749390) is 2-chloro-4-(1-methylcyclopropyl)thiophen-3-amine.
What is the SMILES notation for 2-chloro-4-(1-methylcyclopropyl)thiophen-3-amine?
The canonical SMILES for 2-chloro-4-(1-methylcyclopropyl)thiophen-3-amine is CC1(c2csc(Cl)c2N)CC1.
What is the InChIKey of 2-chloro-4-(1-methylcyclopropyl)thiophen-3-amine?
The InChIKey is XBHKHNZKNFVMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNS/c1-8(2-3-8)5-4-11-7(9)6(5)10/h4H,2-3,10H2,1H3.
What are the key properties of 2-chloro-4-(1-methylcyclopropyl)thiophen-3-amine?
2-chloro-4-(1-methylcyclopropyl)thiophen-3-amine has a molecular weight of 187.70 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-methylcyclopropyl)thiophen-3-amine is sourced from PubChem (CID 114749390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).