N-(1,2-dimethylpiperidin-4-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide

C13H23N3O2S2 — CID 106074074

IUPACN-(1,2-dimethylpiperidin-4-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)NC1CCN(C)C(C)C1
InChIInChI=1S/C13H23N3O2S2/c1-10-8-11(4-6-16(10)3)15-20(17,18)13-5-7-19-12(13)9-14-2/h5,7,10-11,14-15H,4,6,8-9H2,1-3H3
InChIKeyNAFSEBIOVIRSQQ-UHFFFAOYSA-N
MW317.48 g/mol
LogP1.23
Rot. Bonds5

About N-(1,2-dimethylpiperidin-4-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide

N-(1,2-dimethylpiperidin-4-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106074074) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N-(1,2-dimethylpiperidin-4-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(1,2-dimethylpiperidin-4-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106074074
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC NameN-(1,2-dimethylpiperidin-4-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)NC1CCN(C)C(C)C1
InChIInChI=1S/C13H23N3O2S2/c1-10-8-11(4-6-16(10)3)15-20(17,18)13-5-7-19-12(13)9-14-2/h5,7,10-11,14-15H,4,6,8-9H2,1-3H3
InChIKeyNAFSEBIOVIRSQQ-UHFFFAOYSA-N
XLogP1.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethylsulfanylcyclopentyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106091523
2-(methylaminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]thiophene-3-sulfonamide
CID 106050570
N-(1,2-dimethylpiperidin-4-yl)benzenesulfonamide
CID 79032927
1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine
CID 79187058
3-amino-5-bromo-N-(1,2-dimethylpiperidin-4-yl)-2-methylbenzenesulfonamide
CID 114379990
4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
CID 106074086
N-(3-methylcyclohexyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106027355
2-(ethylaminomethyl)-N-(3-methoxycyclopentyl)thiophene-3-sulfonamide
CID 106093062
2-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106088333
N-(1-cyclopropylbutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106063941
N-(1-benzylpiperidin-4-yl)-2-(hydroxymethyl)thiophene-3-sulfonamide
CID 114132627
N-(3-methoxycyclopentyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106093026

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylpiperidin-4-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(1,2-dimethylpiperidin-4-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide (CID 106074074) is N-(1,2-dimethylpiperidin-4-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(1,2-dimethylpiperidin-4-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(1,2-dimethylpiperidin-4-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1sccc1S(=O)(=O)NC1CCN(C)C(C)C1.
What is the InChIKey of N-(1,2-dimethylpiperidin-4-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is NAFSEBIOVIRSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-10-8-11(4-6-16(10)3)15-20(17,18)13-5-7-19-12(13)9-14-2/h5,7,10-11,14-15H,4,6,8-9H2,1-3H3.
What are the key properties of N-(1,2-dimethylpiperidin-4-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
N-(1,2-dimethylpiperidin-4-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 317.48 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylpiperidin-4-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106074074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).