5-nitro-N-(thiolan-3-yl)thiophen-2-amine

C8H10N2O2S2 — CID 131056999

IUPAC5-nitro-N-(thiolan-3-yl)thiophen-2-amine
SMILESO=[N+]([O-])c1ccc(NC2CCSC2)s1
InChIInChI=1S/C8H10N2O2S2/c11-10(12)8-2-1-7(14-8)9-6-3-4-13-5-6/h1-2,6,9H,3-5H2
InChIKeyHMTOTYJWORKNQT-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.57
Rot. Bonds3

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

5-nitro-N-(thiolan-3-yl)thiophen-2-amine (PubChem CID 131056999) has the molecular formula C8H10N2O2S2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-nitro-N-(thiolan-3-yl)thiophen-2-amine.

Molecular Properties

Compound Name5-nitro-N-(thiolan-3-yl)thiophen-2-amine
PubChem CID131056999
Molecular FormulaC8H10N2O2S2
Molecular Weight230.31 g/mol
Exact Mass230.02
IUPAC Name5-nitro-N-(thiolan-3-yl)thiophen-2-amine
SMILESO=[N+]([O-])c1ccc(NC2CCSC2)s1
InChIInChI=1S/C8H10N2O2S2/c11-10(12)8-2-1-7(14-8)9-6-3-4-13-5-6/h1-2,6,9H,3-5H2
InChIKeyHMTOTYJWORKNQT-UHFFFAOYSA-N
XLogP2.57
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.57
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

3-nitro-4-(thiolan-3-ylamino)benzoic acid
CID 103063320
6-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine
CID 103764759
3-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine
CID 103704257
4-nitro-2-(thiolan-3-ylamino)benzoic acid
CID 103063356
3-nitro-2-(thiolan-3-ylamino)pyridine-4-carbonitrile
CID 103764758
6-N-ethyl-3-nitro-2-N-(thiolan-3-yl)pyridine-2,6-diamine
CID 103065315
5-nitro-1-N-propyl-3-N-(thiolan-3-yl)benzene-1,3-diamine
CID 103065347
3-chloro-5-nitro-2-(thiolan-3-ylamino)benzoic acid
CID 107191432
5-nitro-N-(thiolan-3-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 113244170
2-fluoro-5-nitro-4-(thiolan-3-ylamino)benzoic acid
CID 103063366
3-nitro-2-(propylamino)-N-(thiolan-3-yl)benzamide
CID 103064779
5-nitro-6-(thian-4-ylamino)-1H-pyridin-2-one
CID 67312628

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(thiolan-3-yl)thiophen-2-amine?
The IUPAC name of 5-nitro-N-(thiolan-3-yl)thiophen-2-amine (CID 131056999) is 5-nitro-N-(thiolan-3-yl)thiophen-2-amine.
What is the SMILES notation for 5-nitro-N-(thiolan-3-yl)thiophen-2-amine?
The canonical SMILES for 5-nitro-N-(thiolan-3-yl)thiophen-2-amine is O=[N+]([O-])c1ccc(NC2CCSC2)s1.
What is the InChIKey of 5-nitro-N-(thiolan-3-yl)thiophen-2-amine?
The InChIKey is HMTOTYJWORKNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S2/c11-10(12)8-2-1-7(14-8)9-6-3-4-13-5-6/h1-2,6,9H,3-5H2.
What are the key properties of 5-nitro-N-(thiolan-3-yl)thiophen-2-amine?
5-nitro-N-(thiolan-3-yl)thiophen-2-amine has a molecular weight of 230.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(thiolan-3-yl)thiophen-2-amine is sourced from PubChem (CID 131056999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).