N-methyl-N-(2-methylsulfanylethyl)-3-(propylamino)pyridine-2-sulfonamide

C12H21N3O2S2 — CID 103306973

IUPACN-methyl-N-(2-methylsulfanylethyl)-3-(propylamino)pyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)N(C)CCSC
InChIInChI=1S/C12H21N3O2S2/c1-4-7-13-11-6-5-8-14-12(11)19(16,17)15(2)9-10-18-3/h5-6,8,13H,4,7,9-10H2,1-3H3
InChIKeyBHKJDCLQZRMVSP-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.89
Rot. Bonds8

About N-methyl-N-(2-methylsulfanylethyl)-3-(propylamino)pyridine-2-sulfonamide

N-methyl-N-(2-methylsulfanylethyl)-3-(propylamino)pyridine-2-sulfonamide (PubChem CID 103306973) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfanylethyl)-3-(propylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfanylethyl)-3-(propylamino)pyridine-2-sulfonamide
PubChem CID103306973
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC NameN-methyl-N-(2-methylsulfanylethyl)-3-(propylamino)pyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)N(C)CCSC
InChIInChI=1S/C12H21N3O2S2/c1-4-7-13-11-6-5-8-14-12(11)19(16,17)15(2)9-10-18-3/h5-6,8,13H,4,7,9-10H2,1-3H3
InChIKeyBHKJDCLQZRMVSP-UHFFFAOYSA-N
XLogP1.89
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-difluoroethyl)-N-methyl-3-(propylamino)pyridine-2-sulfonamide
CID 103307540
N,N-diethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303638
N-butyl-3-(ethylamino)-N-methylpyridine-2-sulfonamide
CID 103303046
N-methyl-N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103305537
N-methyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303712
2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 112698550
3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
CID 103303452
N-ethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303728
N-(1-methylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103307489
N-methyl-N-(oxolan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103305237
3-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-sulfonamide
CID 103306115
N-methyl-N-propyl-2-(propylamino)pyridine-3-sulfonamide
CID 62144977

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfanylethyl)-3-(propylamino)pyridine-2-sulfonamide?
The IUPAC name of N-methyl-N-(2-methylsulfanylethyl)-3-(propylamino)pyridine-2-sulfonamide (CID 103306973) is N-methyl-N-(2-methylsulfanylethyl)-3-(propylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-methyl-N-(2-methylsulfanylethyl)-3-(propylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-methyl-N-(2-methylsulfanylethyl)-3-(propylamino)pyridine-2-sulfonamide is CCCNc1cccnc1S(=O)(=O)N(C)CCSC.
What is the InChIKey of N-methyl-N-(2-methylsulfanylethyl)-3-(propylamino)pyridine-2-sulfonamide?
The InChIKey is BHKJDCLQZRMVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-4-7-13-11-6-5-8-14-12(11)19(16,17)15(2)9-10-18-3/h5-6,8,13H,4,7,9-10H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylsulfanylethyl)-3-(propylamino)pyridine-2-sulfonamide?
N-methyl-N-(2-methylsulfanylethyl)-3-(propylamino)pyridine-2-sulfonamide has a molecular weight of 303.45 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfanylethyl)-3-(propylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 103306973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).