N,N,3-trimethyl-5-nitrothiophen-2-amine

C7H10N2O2S — CID 102380908

IUPACN,N,3-trimethyl-5-nitrothiophen-2-amine
SMILESCc1cc([N+](=O)[O-])sc1N(C)C
InChIInChI=1S/C7H10N2O2S/c1-5-4-6(9(10)11)12-7(5)8(2)3/h4H,1-3H3
InChIKeyPWCQLNJSGKQLMJ-UHFFFAOYSA-N
MW186.24 g/mol
LogP2.03
Rot. Bonds2

About N,N,3-trimethyl-5-nitrothiophen-2-amine

N,N,3-trimethyl-5-nitrothiophen-2-amine (PubChem CID 102380908) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is N,N,3-trimethyl-5-nitrothiophen-2-amine.

Molecular Properties

Compound NameN,N,3-trimethyl-5-nitrothiophen-2-amine
PubChem CID102380908
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC NameN,N,3-trimethyl-5-nitrothiophen-2-amine
SMILESCc1cc([N+](=O)[O-])sc1N(C)C
InChIInChI=1S/C7H10N2O2S/c1-5-4-6(9(10)11)12-7(5)8(2)3/h4H,1-3H3
InChIKeyPWCQLNJSGKQLMJ-UHFFFAOYSA-N
XLogP2.03
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-(2-methyl-5-nitrothiophen-3-yl)ethanone
CID 118198110
N-butyl-3-methyl-5-nitrothiophen-2-amine
CID 10954913
4-(3-methyl-5-nitrothiophen-2-yl)morpholine
CID 11075160
2,3-diiodo-5-nitrothiophene
CID 10523854
4-fluoro-6-methyl-2-nitro-1-benzothiophene
CID 130898234
N-but-3-en-2-yl-3-methyl-5-nitrothiophen-2-amine
CID 130978442
methyl 2-[benzyl(methyl)amino]-5-nitrothiophene-3-carboxylate
CID 10859740
7-methyl-2-nitrothieno[2,3-f][1]benzothiole-4,8-dione
CID 20717954
N-methyl-N-[(2-methylphenyl)methyl]-5-nitrothiophene-2-carboxamide
CID 18113997
5-bromo-N,N,4-trimethyl-2-nitroaniline
CID 131143954
4-bromo-N,N,2-trimethyl-5-nitroaniline
CID 118834303
ethyl 2-amino-5-nitrothiophene-3-carboxylate
CID 2737608

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-5-nitrothiophen-2-amine?
The IUPAC name of N,N,3-trimethyl-5-nitrothiophen-2-amine (CID 102380908) is N,N,3-trimethyl-5-nitrothiophen-2-amine.
What is the SMILES notation for N,N,3-trimethyl-5-nitrothiophen-2-amine?
The canonical SMILES for N,N,3-trimethyl-5-nitrothiophen-2-amine is Cc1cc([N+](=O)[O-])sc1N(C)C.
What is the InChIKey of N,N,3-trimethyl-5-nitrothiophen-2-amine?
The InChIKey is PWCQLNJSGKQLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-5-4-6(9(10)11)12-7(5)8(2)3/h4H,1-3H3.
What are the key properties of N,N,3-trimethyl-5-nitrothiophen-2-amine?
N,N,3-trimethyl-5-nitrothiophen-2-amine has a molecular weight of 186.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-5-nitrothiophen-2-amine is sourced from PubChem (CID 102380908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).