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

C10H13N3O2S — CID 103704257

IUPAC3-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NC1CCSC1
InChIInChI=1S/C10H13N3O2S/c1-7-4-9(13(14)15)5-11-10(7)12-8-2-3-16-6-8/h4-5,8H,2-3,6H2,1H3,(H,11,12)
InChIKeyZLSQFAOSLRICEO-UHFFFAOYSA-N
MW239.30 g/mol
LogP2.22
Rot. Bonds3

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

3-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine (PubChem CID 103704257) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 3-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine
PubChem CID103704257
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name3-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NC1CCSC1
InChIInChI=1S/C10H13N3O2S/c1-7-4-9(13(14)15)5-11-10(7)12-8-2-3-16-6-8/h4-5,8H,2-3,6H2,1H3,(H,11,12)
InChIKeyZLSQFAOSLRICEO-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'}

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Related Compounds

N-(3-methoxycyclohexyl)-3-methyl-5-nitropyridin-2-amine
CID 133399425
1-N-(3-methyl-5-nitro-2-pyridinyl)cyclopropane-1,2-diamine
CID 62475699
N-(2-cyclopropyloxan-4-yl)-3-methyl-5-nitropyridin-2-amine
CID 133473587
2-N-(3-methyl-5-nitro-2-pyridinyl)cyclohexane-1,2-diamine
CID 55080985
2-[4-[(3-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133376408
N-(3-methyl-5-nitro-2-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 78951023
N-[(1R,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-methyl-5-nitropyridin-2-amine
CID 129471050
N-(3-methyl-5-nitro-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine
CID 122138548
N-(3-methyl-5-nitro-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 133281537
3-methyl-1-[4-[(3-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]butan-1-one
CID 133305619
1-cyclopropyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115301466
N-cycloheptyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306690

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine?
The IUPAC name of 3-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine (CID 103704257) is 3-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine.
What is the SMILES notation for 3-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine?
The canonical SMILES for 3-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine is Cc1cc([N+](=O)[O-])cnc1NC1CCSC1.
What is the InChIKey of 3-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine?
The InChIKey is ZLSQFAOSLRICEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-7-4-9(13(14)15)5-11-10(7)12-8-2-3-16-6-8/h4-5,8H,2-3,6H2,1H3,(H,11,12).
What are the key properties of 3-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine?
3-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 3-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 103704257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).