N-[(1S,2S)-2-fluorocyclopropyl]-N-propan-2-ylthiophen-2-amine

C10H14FNS — CID 172508186

IUPACN-[(1S,2S)-2-fluorocyclopropyl]-N-propan-2-ylthiophen-2-amine
SMILESCC(C)N(c1cccs1)[C@H]1C[C@@H]1F
InChIInChI=1S/C10H14FNS/c1-7(2)12(9-6-8(9)11)10-4-3-5-13-10/h3-5,7-9H,6H2,1-2H3/t8-,9-/m0/s1
InChIKeyDASMQHCPWZGCSO-IUCAKERBSA-N
MW199.29 g/mol
LogP3.07
Rot. Bonds3

About N-[(1S,2S)-2-fluorocyclopropyl]-N-propan-2-ylthiophen-2-amine

N-[(1S,2S)-2-fluorocyclopropyl]-N-propan-2-ylthiophen-2-amine (PubChem CID 172508186) has the molecular formula C10H14FNS and a molecular weight of 199.29 g/mol. Its IUPAC name is N-[(1S,2S)-2-fluorocyclopropyl]-N-propan-2-ylthiophen-2-amine.

Molecular Properties

Compound NameN-[(1S,2S)-2-fluorocyclopropyl]-N-propan-2-ylthiophen-2-amine
PubChem CID172508186
Molecular FormulaC10H14FNS
Molecular Weight199.29 g/mol
Exact Mass199.08
IUPAC NameN-[(1S,2S)-2-fluorocyclopropyl]-N-propan-2-ylthiophen-2-amine
SMILESCC(C)N(c1cccs1)[C@H]1C[C@@H]1F
InChIInChI=1S/C10H14FNS/c1-7(2)12(9-6-8(9)11)10-4-3-5-13-10/h3-5,7-9H,6H2,1-2H3/t8-,9-/m0/s1
InChIKeyDASMQHCPWZGCSO-IUCAKERBSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(1S,2S)-2-fluorocyclopropyl]-N-propan-2-ylthiophen-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

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-fluorocyclopropyl]-N-propan-2-ylthiophen-2-amine?
The IUPAC name of N-[(1S,2S)-2-fluorocyclopropyl]-N-propan-2-ylthiophen-2-amine (CID 172508186) is N-[(1S,2S)-2-fluorocyclopropyl]-N-propan-2-ylthiophen-2-amine.
What is the SMILES notation for N-[(1S,2S)-2-fluorocyclopropyl]-N-propan-2-ylthiophen-2-amine?
The canonical SMILES for N-[(1S,2S)-2-fluorocyclopropyl]-N-propan-2-ylthiophen-2-amine is CC(C)N(c1cccs1)[C@H]1C[C@@H]1F.
What is the InChIKey of N-[(1S,2S)-2-fluorocyclopropyl]-N-propan-2-ylthiophen-2-amine?
The InChIKey is DASMQHCPWZGCSO-IUCAKERBSA-N. The full InChI is InChI=1S/C10H14FNS/c1-7(2)12(9-6-8(9)11)10-4-3-5-13-10/h3-5,7-9H,6H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of N-[(1S,2S)-2-fluorocyclopropyl]-N-propan-2-ylthiophen-2-amine?
N-[(1S,2S)-2-fluorocyclopropyl]-N-propan-2-ylthiophen-2-amine has a molecular weight of 199.29 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-fluorocyclopropyl]-N-propan-2-ylthiophen-2-amine is sourced from PubChem (CID 172508186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).