N-(4-methyl-3-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

C14H19N3O2S2 — CID 106063128

IUPACN-(4-methyl-3-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCc1ccncc1NS(=O)(=O)c1ccsc1CNC(C)C
InChIInChI=1S/C14H19N3O2S2/c1-10(2)16-9-13-14(5-7-20-13)21(18,19)17-12-8-15-6-4-11(12)3/h4-8,10,16-17H,9H2,1-3H3
InChIKeyBSLFZKDLBPAXNL-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.75
Rot. Bonds6

About N-(4-methyl-3-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

N-(4-methyl-3-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (PubChem CID 106063128) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-(4-methyl-3-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(4-methyl-3-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
PubChem CID106063128
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC NameN-(4-methyl-3-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCc1ccncc1NS(=O)(=O)c1ccsc1CNC(C)C
InChIInChI=1S/C14H19N3O2S2/c1-10(2)16-9-13-14(5-7-20-13)21(18,19)17-12-8-15-6-4-11(12)3/h4-8,10,16-17H,9H2,1-3H3
InChIKeyBSLFZKDLBPAXNL-UHFFFAOYSA-N
XLogP2.75
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-Thienylmethyl)-4-pyridinemethanamine
CID 964916
N-(2-(4-ethylpiperazin-1-yl)-2-(pyridin-3-yl)ethyl)thiophene-2-sulfonamide
CID 16194574
Thiophene-2-sulfonic acid pyridin-3-ylamide
CID 651720
5-bromo-N-(pyridin-4-ylmethyl)-2-thiophenesulfonamide
CID 936105
N-pyridin-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2330442
N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide
CID 3237610
N-(2-(4-(4-fluorophenyl)piperazin-1-yl)-2-(pyridin-3-yl)ethyl)thiophene-2-sulfonamide
CID 4079114
N-(2-(4-(2-fluorophenyl)piperazin-1-yl)-2-(pyridin-3-yl)ethyl)thiophene-2-sulfonamide
CID 5156861
4-[4-[(Pyridin-2-ylmethylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 45261834
4-[2-[(Pyridin-2-ylmethylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 45265045
1-pyridin-4-yl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 16192922
US10308605, Example 43
CID 11702720

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The IUPAC name of N-(4-methyl-3-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (CID 106063128) is N-(4-methyl-3-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-(4-methyl-3-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The canonical SMILES for N-(4-methyl-3-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is Cc1ccncc1NS(=O)(=O)c1ccsc1CNC(C)C.
What is the InChIKey of N-(4-methyl-3-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The InChIKey is BSLFZKDLBPAXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-10(2)16-9-13-14(5-7-20-13)21(18,19)17-12-8-15-6-4-11(12)3/h4-8,10,16-17H,9H2,1-3H3.
What are the key properties of N-(4-methyl-3-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
N-(4-methyl-3-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106063128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).