N-(3-morpholin-4-ylpropyl)-2-nitrothiophen-3-amine;hydrochloride

C11H18ClN3O3S — CID 3078805

IUPACN-(3-morpholin-4-ylpropyl)-2-nitrothiophen-3-amine;hydrochloride
SMILESCl.O=[N+]([O-])c1sccc1NCCCN1CCOCC1
InChIInChI=1S/C11H17N3O3S.ClH/c15-14(16)11-10(2-9-18-11)12-3-1-4-13-5-7-17-8-6-13;/h2,9,12H,1,3-8H2;1H
InChIKeySCGMMFSERXDCAT-UHFFFAOYSA-N
MW307.80 g/mol
LogP2.21
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-2-nitrothiophen-3-amine;hydrochloride

N-(3-morpholin-4-ylpropyl)-2-nitrothiophen-3-amine;hydrochloride (PubChem CID 3078805) has the molecular formula C11H18ClN3O3S and a molecular weight of 307.80 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2-nitrothiophen-3-amine;hydrochloride.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2-nitrothiophen-3-amine;hydrochloride
PubChem CID3078805
Molecular FormulaC11H18ClN3O3S
Molecular Weight307.80 g/mol
Exact Mass307.08
IUPAC NameN-(3-morpholin-4-ylpropyl)-2-nitrothiophen-3-amine;hydrochloride
SMILESCl.O=[N+]([O-])c1sccc1NCCCN1CCOCC1
InChIInChI=1S/C11H17N3O3S.ClH/c15-14(16)11-10(2-9-18-11)12-3-1-4-13-5-7-17-8-6-13;/h2,9,12H,1,3-8H2;1H
InChIKeySCGMMFSERXDCAT-UHFFFAOYSA-N
XLogP2.21
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-(3-morpholin-4-ylpropyl)-2-nitrothiophen-3-amine
CID 3078806
2-fluoro-N-(3-morpholin-4-ylpropyl)-4-nitroaniline
CID 2927743
3-methyl-N-(3-morpholin-4-ylpropyl)-2-nitroaniline
CID 102604967
5-bromo-4-fluoro-N-(3-morpholin-4-ylpropyl)-2-nitroaniline
CID 116736925
5-nitro-2-[3-(1,4-oxazepan-4-yl)propylamino]benzonitrile
CID 139017550
1-methyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazol-3-amine
CID 103079679
4-fluoro-3-nitrobenzenesulfonamide;4-(3-morpholin-4-ylpropylamino)-3-nitrobenzenesulfonamide
CID 87316206
3-bromo-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine
CID 79534604
6-(3-morpholin-4-ylpropylamino)-3-nitropyridine-2-carbonitrile
CID 103471217
4-methyl-3-N-(3-morpholin-4-ylpropyl)benzene-1,3-diamine
CID 55091459
3-bromo-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-4-amine
CID 84592604
N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-2-amine
CID 91801780

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-2-nitrothiophen-3-amine;hydrochloride?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2-nitrothiophen-3-amine;hydrochloride (CID 3078805) is N-(3-morpholin-4-ylpropyl)-2-nitrothiophen-3-amine;hydrochloride.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2-nitrothiophen-3-amine;hydrochloride?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2-nitrothiophen-3-amine;hydrochloride is Cl.O=[N+]([O-])c1sccc1NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2-nitrothiophen-3-amine;hydrochloride?
The InChIKey is SCGMMFSERXDCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S.ClH/c15-14(16)11-10(2-9-18-11)12-3-1-4-13-5-7-17-8-6-13;/h2,9,12H,1,3-8H2;1H.
What are the key properties of N-(3-morpholin-4-ylpropyl)-2-nitrothiophen-3-amine;hydrochloride?
N-(3-morpholin-4-ylpropyl)-2-nitrothiophen-3-amine;hydrochloride has a molecular weight of 307.80 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-2-nitrothiophen-3-amine;hydrochloride is sourced from PubChem (CID 3078805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).