N-[2-methyl-1-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-yl]thiophene-2-sulfonamide

C15H27N3O2S2 — CID 2317320

IUPACN-[2-methyl-1-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-yl]thiophene-2-sulfonamide
SMILESCN1CCC(N(C)CC(C)(C)NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H27N3O2S2/c1-15(2,16-22(19,20)14-6-5-11-21-14)12-18(4)13-7-9-17(3)10-8-13/h5-6,11,13,16H,7-10,12H2,1-4H3
InChIKeyORZZQELUKRFEJS-UHFFFAOYSA-N
MW345.53 g/mol
LogP1.83
Rot. Bonds6

About N-[2-methyl-1-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-yl]thiophene-2-sulfonamide

N-[2-methyl-1-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-yl]thiophene-2-sulfonamide (PubChem CID 2317320) has the molecular formula C15H27N3O2S2 and a molecular weight of 345.53 g/mol. Its IUPAC name is N-[2-methyl-1-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-yl]thiophene-2-sulfonamide
PubChem CID2317320
Molecular FormulaC15H27N3O2S2
Molecular Weight345.53 g/mol
Exact Mass345.15
IUPAC NameN-[2-methyl-1-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-yl]thiophene-2-sulfonamide
SMILESCN1CCC(N(C)CC(C)(C)NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H27N3O2S2/c1-15(2,16-22(19,20)14-6-5-11-21-14)12-18(4)13-7-9-17(3)10-8-13/h5-6,11,13,16H,7-10,12H2,1-4H3
InChIKeyORZZQELUKRFEJS-UHFFFAOYSA-N
XLogP1.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-methyl-1-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-yl]thiophene-2-sulfonamide (CID 2317320) is N-[2-methyl-1-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-methyl-1-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-methyl-1-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-yl]thiophene-2-sulfonamide is CN1CCC(N(C)CC(C)(C)NS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[2-methyl-1-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-yl]thiophene-2-sulfonamide?
The InChIKey is ORZZQELUKRFEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S2/c1-15(2,16-22(19,20)14-6-5-11-21-14)12-18(4)13-7-9-17(3)10-8-13/h5-6,11,13,16H,7-10,12H2,1-4H3.
What are the key properties of N-[2-methyl-1-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-yl]thiophene-2-sulfonamide?
N-[2-methyl-1-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-yl]thiophene-2-sulfonamide has a molecular weight of 345.53 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 2317320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).