2-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-sulfonamide

C15H28N2O2S2 — CID 102754332

IUPAC2-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-sulfonamide
SMILESCCC(CC)N(CC(C)C)S(=O)(=O)c1c(C)csc1CN
InChIInChI=1S/C15H28N2O2S2/c1-6-13(7-2)17(9-11(3)4)21(18,19)15-12(5)10-20-14(15)8-16/h10-11,13H,6-9,16H2,1-5H3
InChIKeyKCNBEMRPHNFSSX-UHFFFAOYSA-N
MW332.54 g/mol
LogP3.35
Rot. Bonds8

About 2-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-sulfonamide

2-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-sulfonamide (PubChem CID 102754332) has the molecular formula C15H28N2O2S2 and a molecular weight of 332.54 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-sulfonamide
PubChem CID102754332
Molecular FormulaC15H28N2O2S2
Molecular Weight332.54 g/mol
Exact Mass332.16
IUPAC Name2-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-sulfonamide
SMILESCCC(CC)N(CC(C)C)S(=O)(=O)c1c(C)csc1CN
InChIInChI=1S/C15H28N2O2S2/c1-6-13(7-2)17(9-11(3)4)21(18,19)15-12(5)10-20-14(15)8-16/h10-11,13H,6-9,16H2,1-5H3
InChIKeyKCNBEMRPHNFSSX-UHFFFAOYSA-N
XLogP3.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-1-methylsulfonylpropan-2-amine
CID 75515782
N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylethanesulfonamide
CID 129400273
5-(aminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 65784628
4-methyl-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 65785592
N,4-dimethyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102751791
2-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102751795
N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102751797
2-(ethylaminomethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102751798
N,4-dimethyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102751800
4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102752139
2-[(cyclopropylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102752142
4-methyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102752143

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-sulfonamide (CID 102754332) is 2-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-sulfonamide is CCC(CC)N(CC(C)C)S(=O)(=O)c1c(C)csc1CN.
What is the InChIKey of 2-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-sulfonamide?
The InChIKey is KCNBEMRPHNFSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S2/c1-6-13(7-2)17(9-11(3)4)21(18,19)15-12(5)10-20-14(15)8-16/h10-11,13H,6-9,16H2,1-5H3.
What are the key properties of 2-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-sulfonamide?
2-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-sulfonamide has a molecular weight of 332.54 g/mol, XLogP of 3.35, 8 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-(2-methylpropyl)-N-pentan-3-ylthiophene-3-sulfonamide is sourced from PubChem (CID 102754332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).