1-(3,3-difluorocyclopentyl)-3-(thian-4-yl)propan-2-amine

C13H23F2NS — CID 114225720

IUPAC1-(3,3-difluorocyclopentyl)-3-(thian-4-yl)propan-2-amine
SMILESNC(CC1CCSCC1)CC1CCC(F)(F)C1
InChIInChI=1S/C13H23F2NS/c14-13(15)4-1-11(9-13)8-12(16)7-10-2-5-17-6-3-10/h10-12H,1-9,16H2
InChIKeyUHEQRMSUIFQGRY-UHFFFAOYSA-N
MW263.40 g/mol
LogP3.67
Rot. Bonds4

About 1-(3,3-difluorocyclopentyl)-3-(thian-4-yl)propan-2-amine

1-(3,3-difluorocyclopentyl)-3-(thian-4-yl)propan-2-amine (PubChem CID 114225720) has the molecular formula C13H23F2NS and a molecular weight of 263.40 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)-3-(thian-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)-3-(thian-4-yl)propan-2-amine
PubChem CID114225720
Molecular FormulaC13H23F2NS
Molecular Weight263.40 g/mol
Exact Mass263.15
IUPAC Name1-(3,3-difluorocyclopentyl)-3-(thian-4-yl)propan-2-amine
SMILESNC(CC1CCSCC1)CC1CCC(F)(F)C1
InChIInChI=1S/C13H23F2NS/c14-13(15)4-1-11(9-13)8-12(16)7-10-2-5-17-6-3-10/h10-12H,1-9,16H2
InChIKeyUHEQRMSUIFQGRY-UHFFFAOYSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,3-difluorocyclopentyl)-3-(thian-4-yl)propan-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

Related Compounds

5-Methyl-6-(2,2,2-trifluoroethyl)thian-3-amine
CID 91346030
5,5,5-trifluoro-N-propyl-1-(thian-4-yl)pentan-2-amine
CID 105156308
4,4,4-Trifluoro-1-(2-methylthiolan-2-yl)butan-1-amine
CID 105156346
5,5,5-Trifluoro-1-(thian-4-yl)pentan-2-amine
CID 105156348
5,5,5-trifluoro-N-methyl-1-(thian-4-yl)pentan-2-amine
CID 105156356
N-ethyl-5,5,5-trifluoro-1-(thian-4-yl)pentan-2-amine
CID 105156512
6,6,6-trifluoro-N-propyl-1-(thian-4-yl)hexan-2-amine
CID 105174294
5,5,5-Trifluoro-1-(2-methylthiolan-2-yl)pentan-1-amine
CID 105174337
6,6,6-Trifluoro-1-(thian-4-yl)hexan-2-amine
CID 105174339
5,5,5-Trifluoro-1-(thiolan-3-yl)pentan-1-amine
CID 105174427
1-Fluoro-1-(thian-3-yl)propan-2-amine
CID 105437217
1,1-Difluoro-1-(thian-3-yl)propan-2-amine
CID 105449344

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopentyl)-3-(thian-4-yl)propan-2-amine?
The IUPAC name of 1-(3,3-difluorocyclopentyl)-3-(thian-4-yl)propan-2-amine (CID 114225720) is 1-(3,3-difluorocyclopentyl)-3-(thian-4-yl)propan-2-amine.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)-3-(thian-4-yl)propan-2-amine?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)-3-(thian-4-yl)propan-2-amine is NC(CC1CCSCC1)CC1CCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)-3-(thian-4-yl)propan-2-amine?
The InChIKey is UHEQRMSUIFQGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NS/c14-13(15)4-1-11(9-13)8-12(16)7-10-2-5-17-6-3-10/h10-12H,1-9,16H2.
What are the key properties of 1-(3,3-difluorocyclopentyl)-3-(thian-4-yl)propan-2-amine?
1-(3,3-difluorocyclopentyl)-3-(thian-4-yl)propan-2-amine has a molecular weight of 263.40 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclopentyl)-3-(thian-4-yl)propan-2-amine is sourced from PubChem (CID 114225720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).