N-[[3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-methylthiophen-2-yl]methyl]propan-1-amine

C15H24N2O2S2 — CID 102752734

IUPACN-[[3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-methylthiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1scc(C)c1S(=O)(=O)N1CC2CCC1C2
InChIInChI=1S/C15H24N2O2S2/c1-3-6-16-8-14-15(11(2)10-20-14)21(18,19)17-9-12-4-5-13(17)7-12/h10,12-13,16H,3-9H2,1-2H3
InChIKeyYFKBYWRXEXPXLE-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.73
Rot. Bonds6

About N-[[3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-methylthiophen-2-yl]methyl]propan-1-amine

N-[[3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-methylthiophen-2-yl]methyl]propan-1-amine (PubChem CID 102752734) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is N-[[3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-methylthiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-methylthiophen-2-yl]methyl]propan-1-amine
PubChem CID102752734
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC NameN-[[3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-methylthiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1scc(C)c1S(=O)(=O)N1CC2CCC1C2
InChIInChI=1S/C15H24N2O2S2/c1-3-6-16-8-14-15(11(2)10-20-14)21(18,19)17-9-12-4-5-13(17)7-12/h10,12-13,16H,3-9H2,1-2H3
InChIKeyYFKBYWRXEXPXLE-UHFFFAOYSA-N
XLogP2.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-methylthiophen-2-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-(cyclopropylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102752081
N-(cyclopentylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106027277
N-[[3-(3,3-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]propan-1-amine
CID 102754369
N-(2,2-dimethylcyclopropyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102753136
4-methyl-N-(oxolan-3-ylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102753505
N',N',4-trimethyl-2-(propylaminomethyl)thiophene-3-sulfonohydrazide
CID 114141864
4-methyl-N-propan-2-yl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102751963
4-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-N-propylaniline
CID 62158432
4-methyl-2-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide
CID 106081622
4-methyl-2-(propylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide
CID 106089237
N-[[4-methyl-3-(3-propan-2-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine
CID 102754750
N-cyclopropyl-N-ethyl-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
CID 102751319

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-methylthiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-methylthiophen-2-yl]methyl]propan-1-amine (CID 102752734) is N-[[3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-methylthiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-methylthiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-methylthiophen-2-yl]methyl]propan-1-amine is CCCNCc1scc(C)c1S(=O)(=O)N1CC2CCC1C2.
What is the InChIKey of N-[[3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-methylthiophen-2-yl]methyl]propan-1-amine?
The InChIKey is YFKBYWRXEXPXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-3-6-16-8-14-15(11(2)10-20-14)21(18,19)17-9-12-4-5-13(17)7-12/h10,12-13,16H,3-9H2,1-2H3.
What are the key properties of N-[[3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-methylthiophen-2-yl]methyl]propan-1-amine?
N-[[3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-methylthiophen-2-yl]methyl]propan-1-amine has a molecular weight of 328.50 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-methylthiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 102752734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).