2-(aminomethyl)-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide

C14H25N3O2S2 — CID 106082660

IUPAC2-(aminomethyl)-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide
SMILESCc1csc(CN)c1S(=O)(=O)NCCC1CCN(C)CC1
InChIInChI=1S/C14H25N3O2S2/c1-11-10-20-13(9-15)14(11)21(18,19)16-6-3-12-4-7-17(2)8-5-12/h10,12,16H,3-9,15H2,1-2H3
InChIKeyKCPMLNFDCCVCQO-UHFFFAOYSA-N
MW331.51 g/mol
LogP1.53
Rot. Bonds6

About 2-(aminomethyl)-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide

2-(aminomethyl)-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide (PubChem CID 106082660) has the molecular formula C14H25N3O2S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide
PubChem CID106082660
Molecular FormulaC14H25N3O2S2
Molecular Weight331.51 g/mol
Exact Mass331.14
IUPAC Name2-(aminomethyl)-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide
SMILESCc1csc(CN)c1S(=O)(=O)NCCC1CCN(C)CC1
InChIInChI=1S/C14H25N3O2S2/c1-11-10-20-13(9-15)14(11)21(18,19)16-6-3-12-4-7-17(2)8-5-12/h10,12,16H,3-9,15H2,1-2H3
InChIKeyKCPMLNFDCCVCQO-UHFFFAOYSA-N
XLogP1.53
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]furan-2-sulfonamide
CID 114516893
2-(aminomethyl)-N-(dicyclopropylmethyl)-4-methylthiophene-3-sulfonamide
CID 102752653
2-(aminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-3-sulfonamide
CID 106092711
2-(aminomethyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106088307
5-(aminomethyl)-2-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide
CID 106082684
2-(aminomethyl)-N-benzyl-4-methylthiophene-3-sulfonamide
CID 102752086
[3-(4-tert-butylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanamine
CID 102753326
2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-4-methylthiophene-3-sulfonamide
CID 106068928
2-(aminomethyl)-N-butan-2-yl-4-methylthiophene-3-sulfonamide
CID 102751985
1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-dimethylpyrrolidin-3-amine
CID 102753667
2-(aminomethyl)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106090624
2-(aminomethyl)-4-methyl-N-(2-propylcyclopropyl)thiophene-3-sulfonamide
CID 114112528

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide (CID 106082660) is 2-(aminomethyl)-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide is Cc1csc(CN)c1S(=O)(=O)NCCC1CCN(C)CC1.
What is the InChIKey of 2-(aminomethyl)-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide?
The InChIKey is KCPMLNFDCCVCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S2/c1-11-10-20-13(9-15)14(11)21(18,19)16-6-3-12-4-7-17(2)8-5-12/h10,12,16H,3-9,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide?
2-(aminomethyl)-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide has a molecular weight of 331.51 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106082660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).