2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,3-diamine

C10H15N3O2S — CID 43648521

IUPAC2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,3-diamine
SMILESCN(c1ncccc1N)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H15N3O2S/c1-13(8-4-6-16(14,15)7-8)10-9(11)3-2-5-12-10/h2-3,5,8H,4,6-7,11H2,1H3
InChIKeyGDDMYFWXYGAQSC-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.29
Rot. Bonds2

About 2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,3-diamine

2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,3-diamine (PubChem CID 43648521) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,3-diamine
PubChem CID43648521
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,3-diamine
SMILESCN(c1ncccc1N)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H15N3O2S/c1-13(8-4-6-16(14,15)7-8)10-9(11)3-2-5-12-10/h2-3,5,8H,4,6-7,11H2,1H3
InChIKeyGDDMYFWXYGAQSC-UHFFFAOYSA-N
XLogP0.29
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-cyclopropyl-2-N-methylpyridine-2,3-diamine
CID 43264702
2-N-(1,1-dioxothiolan-3-yl)-6-methoxy-2-N-methylpyridine-2,3-diamine
CID 115320464
4-(aminomethyl)-3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine
CID 107055209
4-N-(1,1-dioxothiolan-3-yl)-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80789505
2-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide
CID 110299246
2-(1,1-dioxothiolan-3-yl)sulfinylpyridin-3-amine
CID 61367917
1-N-(1,1-dioxothiolan-3-yl)-1-N,4-dimethylbenzene-1,2-diamine
CID 43648562
4-N-(1,1-dioxothiolan-3-yl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325263
N-methyl-1,1-dioxo-N-(quinolin-6-ylmethyl)thiolan-3-amine
CID 46981762
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide
CID 4605115
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidin-4-amine
CID 62341880
(3S)-N-methyl-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine
CID 51598744

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,3-diamine (CID 43648521) is 2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,3-diamine is CN(c1ncccc1N)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,3-diamine?
The InChIKey is GDDMYFWXYGAQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-13(8-4-6-16(14,15)7-8)10-9(11)3-2-5-12-10/h2-3,5,8H,4,6-7,11H2,1H3.
What are the key properties of 2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,3-diamine?
2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,3-diamine has a molecular weight of 241.32 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,3-diamine is sourced from PubChem (CID 43648521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).