N-(1,4-dioxan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide

C13H21N3O4S — CID 103304982

IUPACN-(1,4-dioxan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)NCC1COCCO1
InChIInChI=1S/C13H21N3O4S/c1-2-5-14-12-4-3-6-15-13(12)21(17,18)16-9-11-10-19-7-8-20-11/h3-4,6,11,14,16H,2,5,7-10H2,1H3
InChIKeyDDWYBWHQDGCEKK-UHFFFAOYSA-N
MW315.39 g/mol
LogP0.60
Rot. Bonds7

About N-(1,4-dioxan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide

N-(1,4-dioxan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide (PubChem CID 103304982) has the molecular formula C13H21N3O4S and a molecular weight of 315.39 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide
PubChem CID103304982
Molecular FormulaC13H21N3O4S
Molecular Weight315.39 g/mol
Exact Mass315.13
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)NCC1COCCO1
InChIInChI=1S/C13H21N3O4S/c1-2-5-14-12-4-3-6-15-13(12)21(17,18)16-9-11-10-19-7-8-20-11/h3-4,6,11,14,16H,2,5,7-10H2,1H3
InChIKeyDDWYBWHQDGCEKK-UHFFFAOYSA-N
XLogP0.60
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-2-(propylamino)pyridine-4-sulfonamide
CID 62147420
N-ethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303728
N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)benzenesulfonamide
CID 62146549
N-methyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303712
3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
CID 103303452
N-(2,2-difluoroethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306685
N-methyl-N-(oxolan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103305237
N-(3-methylcyclobutyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103307276
N-(1,2-oxazol-3-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306623
N-[(3-methylthiophen-2-yl)methyl]-3-(propylamino)pyridine-2-sulfonamide
CID 103306549
N-(3-ethylpentan-3-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306299
N-(1,4-dioxan-2-ylmethyl)-2-(ethylaminomethyl)benzenesulfonamide
CID 106016670

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide (CID 103304982) is N-(1,4-dioxan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide is CCCNc1cccnc1S(=O)(=O)NCC1COCCO1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide?
The InChIKey is DDWYBWHQDGCEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-2-5-14-12-4-3-6-15-13(12)21(17,18)16-9-11-10-19-7-8-20-11/h3-4,6,11,14,16H,2,5,7-10H2,1H3.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide?
N-(1,4-dioxan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide has a molecular weight of 315.39 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 103304982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).