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

C8H11ClN2O2S — CID 171236387

IUPAC(S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine;hydrochloride
SMILESCl.N[C@H](c1ccc([N+](=O)[O-])s1)C1CC1
InChIInChI=1S/C8H10N2O2S.ClH/c9-8(5-1-2-5)6-3-4-7(13-6)10(11)12;/h3-5,8H,1-2,9H2;1H/t8-;/m0./s1
InChIKeyHZOSTVXKDAKZNY-QRPNPIFTSA-N
MW234.71 g/mol
LogP2.49
Rot. Bonds3

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

(S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine;hydrochloride (PubChem CID 171236387) has the molecular formula C8H11ClN2O2S and a molecular weight of 234.71 g/mol. Its IUPAC name is (S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine;hydrochloride
PubChem CID171236387
Molecular FormulaC8H11ClN2O2S
Molecular Weight234.71 g/mol
Exact Mass234.02
IUPAC Name(S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine;hydrochloride
SMILESCl.N[C@H](c1ccc([N+](=O)[O-])s1)C1CC1
InChIInChI=1S/C8H10N2O2S.ClH/c9-8(5-1-2-5)6-3-4-7(13-6)10(11)12;/h3-5,8H,1-2,9H2;1H/t8-;/m0./s1
InChIKeyHZOSTVXKDAKZNY-QRPNPIFTSA-N
XLogP2.49
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 52.49
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
CID 130673381
(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
(R)-cyclopropyl-(2-nitrophenyl)methanamine;hydrochloride
CID 171198305
(R)-cyclopropyl-(5-nitrothiophen-3-yl)methanamine
CID 131198377
(1R)-3-methyl-1-(5-nitrothiophen-2-yl)butan-1-amine
CID 171216739
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
5-nitrothiophen-2-amine;hydrochloride
CID 115008612
[4-(1-aminoethyl)piperidin-1-yl]-(5-nitrothiophen-2-yl)methanone;hydrochloride
CID 119520582

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine;hydrochloride?
The IUPAC name of (S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine;hydrochloride (CID 171236387) is (S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine;hydrochloride?
The canonical SMILES for (S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine;hydrochloride is Cl.N[C@H](c1ccc([N+](=O)[O-])s1)C1CC1.
What is the InChIKey of (S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine;hydrochloride?
The InChIKey is HZOSTVXKDAKZNY-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H10N2O2S.ClH/c9-8(5-1-2-5)6-3-4-7(13-6)10(11)12;/h3-5,8H,1-2,9H2;1H/t8-;/m0./s1.
What are the key properties of (S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine;hydrochloride?
(S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine;hydrochloride has a molecular weight of 234.71 g/mol, XLogP of 2.49, 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;hydrochloride is sourced from PubChem (CID 171236387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).