N-cyclohexyl-3,5-dinitrothiophen-2-amine

C10H13N3O4S — CID 102130217

IUPACN-cyclohexyl-3,5-dinitrothiophen-2-amine
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(NC2CCCCC2)s1
InChIInChI=1S/C10H13N3O4S/c14-12(15)8-6-9(13(16)17)18-10(8)11-7-4-2-1-3-5-7/h6-7,11H,1-5H2
InChIKeyHYLIERHWIPMTTR-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.31
Rot. Bonds4

About N-cyclohexyl-3,5-dinitrothiophen-2-amine

N-cyclohexyl-3,5-dinitrothiophen-2-amine (PubChem CID 102130217) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is N-cyclohexyl-3,5-dinitrothiophen-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-3,5-dinitrothiophen-2-amine
PubChem CID102130217
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC NameN-cyclohexyl-3,5-dinitrothiophen-2-amine
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(NC2CCCCC2)s1
InChIInChI=1S/C10H13N3O4S/c14-12(15)8-6-9(13(16)17)18-10(8)11-7-4-2-1-3-5-7/h6-7,11H,1-5H2
InChIKeyHYLIERHWIPMTTR-UHFFFAOYSA-N
XLogP3.31
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-cycloheptyl-5-methylsulfonyl-3-nitrothiophen-2-amine
CID 133423964
6-chloro-N-cyclohexyl-4-nitro-1,3-benzothiazol-2-amine
CID 96710418
N-(5-chloro-2-methyl-4-nitrophenyl)cyclooctanamine
CID 115555651
N-(2,4-dinitrophenyl)cycloheptanamine
CID 9283016
N-(5-chloro-2-nitrophenyl)cycloheptanamine
CID 22922481
N-cyclohexyl-4-fluoro-2-nitroaniline
CID 12793832
N-(3-bromo-4-nitrophenyl)cycloheptanamine
CID 82864215
N-cycloheptyl-3,5-dinitropyridin-2-amine
CID 71836620
4-bromo-N-cyclohexyl-3-nitroaniline
CID 79767525
N-cyclohexyl-5-nitro-2-(trifluoromethyl)pyridin-4-amine
CID 106748879
6-(cyclooctylamino)-5-nitropyridine-3-carboxylic acid
CID 81441566
5-bromo-N-cycloheptyl-3-nitropyridin-2-amine
CID 61227669

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3,5-dinitrothiophen-2-amine?
The IUPAC name of N-cyclohexyl-3,5-dinitrothiophen-2-amine (CID 102130217) is N-cyclohexyl-3,5-dinitrothiophen-2-amine.
What is the SMILES notation for N-cyclohexyl-3,5-dinitrothiophen-2-amine?
The canonical SMILES for N-cyclohexyl-3,5-dinitrothiophen-2-amine is O=[N+]([O-])c1cc([N+](=O)[O-])c(NC2CCCCC2)s1.
What is the InChIKey of N-cyclohexyl-3,5-dinitrothiophen-2-amine?
The InChIKey is HYLIERHWIPMTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c14-12(15)8-6-9(13(16)17)18-10(8)11-7-4-2-1-3-5-7/h6-7,11H,1-5H2.
What are the key properties of N-cyclohexyl-3,5-dinitrothiophen-2-amine?
N-cyclohexyl-3,5-dinitrothiophen-2-amine has a molecular weight of 271.30 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3,5-dinitrothiophen-2-amine is sourced from PubChem (CID 102130217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).