(1R)-1-(5-nitrothiophen-3-yl)hexan-1-amine;hydrochloride

C10H17ClN2O2S — CID 171216686

IUPAC(1R)-1-(5-nitrothiophen-3-yl)hexan-1-amine;hydrochloride
SMILESCCCCC[C@@H](N)c1csc([N+](=O)[O-])c1.Cl
InChIInChI=1S/C10H16N2O2S.ClH/c1-2-3-4-5-9(11)8-6-10(12(13)14)15-7-8;/h6-7,9H,2-5,11H2,1H3;1H/t9-;/m1./s1
InChIKeyAPJFUXKBPVRWBS-SBSPUUFOSA-N
MW264.78 g/mol
LogP3.66
Rot. Bonds6

About (1R)-1-(5-nitrothiophen-3-yl)hexan-1-amine;hydrochloride

(1R)-1-(5-nitrothiophen-3-yl)hexan-1-amine;hydrochloride (PubChem CID 171216686) has the molecular formula C10H17ClN2O2S and a molecular weight of 264.78 g/mol. Its IUPAC name is (1R)-1-(5-nitrothiophen-3-yl)hexan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(5-nitrothiophen-3-yl)hexan-1-amine;hydrochloride
PubChem CID171216686
Molecular FormulaC10H17ClN2O2S
Molecular Weight264.78 g/mol
Exact Mass264.07
IUPAC Name(1R)-1-(5-nitrothiophen-3-yl)hexan-1-amine;hydrochloride
SMILESCCCCC[C@@H](N)c1csc([N+](=O)[O-])c1.Cl
InChIInChI=1S/C10H16N2O2S.ClH/c1-2-3-4-5-9(11)8-6-10(12(13)14)15-7-8;/h6-7,9H,2-5,11H2,1H3;1H/t9-;/m1./s1
InChIKeyAPJFUXKBPVRWBS-SBSPUUFOSA-N
XLogP3.66
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-amino-3-(5-nitrothiophen-3-yl)propan-1-ol;hydrochloride
CID 171216718
(3S)-3-amino-3-(5-nitrothiophen-3-yl)propan-1-ol
CID 171236353
(1S)-3-fluoro-1-(5-nitrothiophen-3-yl)propan-1-amine
CID 171236331
(1R)-4,4,4-trifluoro-1-(5-nitrothiophen-3-yl)butan-1-amine;hydrochloride
CID 171216694
(1R)-1-(5-nitrothiophen-3-yl)pent-4-en-1-amine;hydrochloride
CID 171216705
(1R)-1-(5-nitrothiophen-3-yl)but-3-en-1-amine;hydrochloride
CID 171216682
(3R)-3-amino-3-(5-nitrothiophen-3-yl)propanenitrile
CID 130987742
1-(4-nitrophenyl)hexan-1-amine
CID 139623106
(1S)-2,2-dimethyl-1-(5-nitrothiophen-3-yl)propan-1-amine
CID 131101321
1-(5-bromothiophen-3-yl)nonan-1-amine
CID 105128036
(2S)-2-amino-2-(5-nitrothiophen-3-yl)acetonitrile
CID 131128756
4-[(1R)-1-aminohexyl]-2-nitrophenol;hydrochloride
CID 171199939

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-nitrothiophen-3-yl)hexan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(5-nitrothiophen-3-yl)hexan-1-amine;hydrochloride (CID 171216686) is (1R)-1-(5-nitrothiophen-3-yl)hexan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(5-nitrothiophen-3-yl)hexan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(5-nitrothiophen-3-yl)hexan-1-amine;hydrochloride is CCCCC[C@@H](N)c1csc([N+](=O)[O-])c1.Cl.
What is the InChIKey of (1R)-1-(5-nitrothiophen-3-yl)hexan-1-amine;hydrochloride?
The InChIKey is APJFUXKBPVRWBS-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H16N2O2S.ClH/c1-2-3-4-5-9(11)8-6-10(12(13)14)15-7-8;/h6-7,9H,2-5,11H2,1H3;1H/t9-;/m1./s1.
What are the key properties of (1R)-1-(5-nitrothiophen-3-yl)hexan-1-amine;hydrochloride?
(1R)-1-(5-nitrothiophen-3-yl)hexan-1-amine;hydrochloride has a molecular weight of 264.78 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-nitrothiophen-3-yl)hexan-1-amine;hydrochloride is sourced from PubChem (CID 171216686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).