(S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine

C8H10N2O2S — CID 130673381

IUPAC(S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine
SMILESN[C@H](c1ccc([N+](=O)[O-])s1)C1CC1
InChIInChI=1S/C8H10N2O2S/c9-8(5-1-2-5)6-3-4-7(13-6)10(11)12/h3-5,8H,1-2,9H2/t8-/m0/s1
InChIKeyOZODIXOXAWAZKK-QMMMGPOBSA-N
MW198.25 g/mol
LogP2.07
Rot. Bonds3

About (S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine

(S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine (PubChem CID 130673381) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is (S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine
PubChem CID130673381
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name(S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine
SMILESN[C@H](c1ccc([N+](=O)[O-])s1)C1CC1
InChIInChI=1S/C8H10N2O2S/c9-8(5-1-2-5)6-3-4-7(13-6)10(11)12/h3-5,8H,1-2,9H2/t8-/m0/s1
InChIKeyOZODIXOXAWAZKK-QMMMGPOBSA-N
XLogP2.07
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
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

(S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine;hydrochloride
CID 171236387
(R)-cyclohexyl-(5-nitrothiophen-2-yl)methanamine
CID 131624660
(1R)-2,2-difluoro-1-(5-nitrothiophen-2-yl)ethanamine;hydrochloride
CID 171251968
(2R)-2-amino-2-(5-nitrothiophen-2-yl)ethanol;hydrochloride
CID 171216766
(1R)-3-methyl-1-(5-nitrothiophen-2-yl)butan-1-amine
CID 171216739
(R)-cyclopropyl-(5-nitrothiophen-3-yl)methanamine
CID 131198377
2-(1-chloroethyl)-5-nitrothiophene
CID 12583139
5-[(S)-amino(cyclopropyl)methyl]thiophene-2-sulfonamide
CID 131173158
(1S)-3,3,3-trifluoro-1-(5-nitrothiophen-2-yl)propan-1-amine
CID 171236380
(R)-cyclopropyl-(2-nitrophenyl)methanamine;hydrochloride
CID 171198305
5-[(R)-amino(cyclopropyl)methyl]thiophene-2-carbonitrile
CID 130877567
[4-(1-aminoethyl)piperidin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 55217648

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine?
The IUPAC name of (S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine (CID 130673381) is (S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine.
What is the SMILES notation for (S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine?
The canonical SMILES for (S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine is N[C@H](c1ccc([N+](=O)[O-])s1)C1CC1.
What is the InChIKey of (S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine?
The InChIKey is OZODIXOXAWAZKK-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H10N2O2S/c9-8(5-1-2-5)6-3-4-7(13-6)10(11)12/h3-5,8H,1-2,9H2/t8-/m0/s1.
What are the key properties of (S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine?
(S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine has a molecular weight of 198.25 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine is sourced from PubChem (CID 130673381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).