N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-1,1-difluoro-N-methylmethanesulfonamide

C10H12F2N2O2S2 — CID 54984274

IUPACN-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-1,1-difluoro-N-methylmethanesulfonamide
SMILESCN(Cc1cc(C#CCN)cs1)S(=O)(=O)C(F)F
InChIInChI=1S/C10H12F2N2O2S2/c1-14(18(15,16)10(11)12)6-9-5-8(7-17-9)3-2-4-13/h5,7,10H,4,6,13H2,1H3
InChIKeyKXSFSKZKXNCLPO-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.04
Rot. Bonds4

About N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-1,1-difluoro-N-methylmethanesulfonamide

N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-1,1-difluoro-N-methylmethanesulfonamide (PubChem CID 54984274) has the molecular formula C10H12F2N2O2S2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-1,1-difluoro-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-1,1-difluoro-N-methylmethanesulfonamide
PubChem CID54984274
Molecular FormulaC10H12F2N2O2S2
Molecular Weight294.35 g/mol
Exact Mass294.03
IUPAC NameN-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-1,1-difluoro-N-methylmethanesulfonamide
SMILESCN(Cc1cc(C#CCN)cs1)S(=O)(=O)C(F)F
InChIInChI=1S/C10H12F2N2O2S2/c1-14(18(15,16)10(11)12)6-9-5-8(7-17-9)3-2-4-13/h5,7,10H,4,6,13H2,1H3
InChIKeyKXSFSKZKXNCLPO-UHFFFAOYSA-N
XLogP1.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-1,1-difluoro-N-methylmethanesulfonamide 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

N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide
CID 137545875
N-benzyl-N-(2-thiophen-2-ylethynyl)methanesulfonamide
CID 166437629
1,1-difluoro-N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-N-methylmethanesulfonamide
CID 54984278
1,1-difluoro-N-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-N-methylmethanesulfonamide
CID 54984374
1,1-difluoro-N-[[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]methyl]-N-methylmethanesulfonamide
CID 54986626
1,1-difluoro-N-[[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methyl]-N-methylmethanesulfonamide
CID 54986917
N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 54986965
3-[2-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-amine
CID 61729609
3-[2-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-amine
CID 61730203
3-[2-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-amine
CID 61730384
3-[5-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-amine
CID 61742856
3-[5-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-amine
CID 61744061

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-1,1-difluoro-N-methylmethanesulfonamide?
The IUPAC name of N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-1,1-difluoro-N-methylmethanesulfonamide (CID 54984274) is N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-1,1-difluoro-N-methylmethanesulfonamide.
What is the SMILES notation for N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-1,1-difluoro-N-methylmethanesulfonamide?
The canonical SMILES for N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-1,1-difluoro-N-methylmethanesulfonamide is CN(Cc1cc(C#CCN)cs1)S(=O)(=O)C(F)F.
What is the InChIKey of N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-1,1-difluoro-N-methylmethanesulfonamide?
The InChIKey is KXSFSKZKXNCLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2S2/c1-14(18(15,16)10(11)12)6-9-5-8(7-17-9)3-2-4-13/h5,7,10H,4,6,13H2,1H3.
What are the key properties of N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-1,1-difluoro-N-methylmethanesulfonamide?
N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-1,1-difluoro-N-methylmethanesulfonamide has a molecular weight of 294.35 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-1,1-difluoro-N-methylmethanesulfonamide is sourced from PubChem (CID 54984274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).