6-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine

C10H13N3O2S — CID 103764759

IUPAC6-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine
SMILESCc1nc(NC2CCSC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O2S/c1-7-9(13(14)15)2-3-10(11-7)12-8-4-5-16-6-8/h2-3,8H,4-6H2,1H3,(H,11,12)
InChIKeyUCVOHJNXNXISET-UHFFFAOYSA-N
MW239.30 g/mol
LogP2.22
Rot. Bonds3

About 6-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine

6-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine (PubChem CID 103764759) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 6-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine
PubChem CID103764759
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name6-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine
SMILESCc1nc(NC2CCSC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O2S/c1-7-9(13(14)15)2-3-10(11-7)12-8-4-5-16-6-8/h2-3,8H,4-6H2,1H3,(H,11,12)
InChIKeyUCVOHJNXNXISET-UHFFFAOYSA-N
XLogP2.22
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-6-methyl-5-nitropyridin-2-amine
CID 80718825
6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyridin-2-amine
CID 80718381
6-N-ethyl-3-nitro-2-N-(thiolan-3-yl)pyridine-2,6-diamine
CID 103065315
N-(3-methoxycyclopentyl)-6-methyl-5-nitropyridin-2-amine
CID 103082006
N-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80718382
N-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80712219
N-(2-cyclopropyloxolan-3-yl)-6-methyl-5-nitropyridin-2-amine
CID 103864059
6-methyl-5-nitro-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine
CID 133440404
N-cycloheptyl-N'-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306791
6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine
CID 103764691
3-nitro-4-(thiolan-3-ylamino)benzoic acid
CID 103063320
2-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
CID 103065290

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine?
The IUPAC name of 6-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine (CID 103764759) is 6-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine.
What is the SMILES notation for 6-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine?
The canonical SMILES for 6-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine is Cc1nc(NC2CCSC2)ccc1[N+](=O)[O-].
What is the InChIKey of 6-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine?
The InChIKey is UCVOHJNXNXISET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-7-9(13(14)15)2-3-10(11-7)12-8-4-5-16-6-8/h2-3,8H,4-6H2,1H3,(H,11,12).
What are the key properties of 6-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine?
6-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine has a molecular weight of 239.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 103764759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).