2-(aminomethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide

C11H17F3N2O2S2 — CID 102752961

IUPAC2-(aminomethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1c(C)csc1CN
InChIInChI=1S/C11H17F3N2O2S2/c1-3-4-16(7-11(12,13)14)20(17,18)10-8(2)6-19-9(10)5-15/h6H,3-5,7,15H2,1-2H3
InChIKeyNSZMBHJPQZMRJA-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.48
Rot. Bonds6

About 2-(aminomethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide

2-(aminomethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (PubChem CID 102752961) has the molecular formula C11H17F3N2O2S2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
PubChem CID102752961
Molecular FormulaC11H17F3N2O2S2
Molecular Weight330.40 g/mol
Exact Mass330.07
IUPAC Name2-(aminomethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1c(C)csc1CN
InChIInChI=1S/C11H17F3N2O2S2/c1-3-4-16(7-11(12,13)14)20(17,18)10-8(2)6-19-9(10)5-15/h6H,3-5,7,15H2,1-2H3
InChIKeyNSZMBHJPQZMRJA-UHFFFAOYSA-N
XLogP2.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-[5-(difluoromethyl)-4-fluorothiophen-3-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 155688020
(R)-N-[(1R)-1-[5-(difluoromethyl)-4-fluorothiophen-3-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 168073917
N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 54984274
N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 54986965
5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 55009505
5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 55009694
N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-1,1-difluoromethanesulfonamide
CID 64306385
5-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 65537147
N,4-dimethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 65772054
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 65772056
5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 65772432
N-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 65772438

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (CID 102752961) is 2-(aminomethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is CCCN(CC(F)(F)F)S(=O)(=O)c1c(C)csc1CN.
What is the InChIKey of 2-(aminomethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The InChIKey is NSZMBHJPQZMRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2S2/c1-3-4-16(7-11(12,13)14)20(17,18)10-8(2)6-19-9(10)5-15/h6H,3-5,7,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
2-(aminomethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide has a molecular weight of 330.40 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102752961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).