N-cyclopropyl-4-(methylamino)-N-(thiophen-2-ylmethyl)butanamide;hydrochloride

C13H21ClN2OS — CID 119715445

IUPACN-cyclopropyl-4-(methylamino)-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
SMILESCNCCCC(=O)N(Cc1cccs1)C1CC1.Cl
InChIInChI=1S/C13H20N2OS.ClH/c1-14-8-2-5-13(16)15(11-6-7-11)10-12-4-3-9-17-12;/h3-4,9,11,14H,2,5-8,10H2,1H3;1H
InChIKeyFJFYLIRNSRLKLV-UHFFFAOYSA-N
MW288.84 g/mol
LogP2.66
Rot. Bonds7

About N-cyclopropyl-4-(methylamino)-N-(thiophen-2-ylmethyl)butanamide;hydrochloride

N-cyclopropyl-4-(methylamino)-N-(thiophen-2-ylmethyl)butanamide;hydrochloride (PubChem CID 119715445) has the molecular formula C13H21ClN2OS and a molecular weight of 288.84 g/mol. Its IUPAC name is N-cyclopropyl-4-(methylamino)-N-(thiophen-2-ylmethyl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-4-(methylamino)-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
PubChem CID119715445
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC NameN-cyclopropyl-4-(methylamino)-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
SMILESCNCCCC(=O)N(Cc1cccs1)C1CC1.Cl
InChIInChI=1S/C13H20N2OS.ClH/c1-14-8-2-5-13(16)15(11-6-7-11)10-12-4-3-9-17-12;/h3-4,9,11,14H,2,5-8,10H2,1H3;1H
InChIKeyFJFYLIRNSRLKLV-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-phenoxy-N-(thiophen-2-ylmethyl)butanamide
CID 134004464
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119715339
N-cyclopentyl-4-phenyl-N-(thiophen-2-ylmethyl)butanamide
CID 157468797
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-(methylamino)butanamide
CID 60947854
N-cyclopropyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 78852295
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-thiophen-2-ylbutanamide
CID 39968065
3-tert-butyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)urea
CID 113224633
2-(1-aminocyclopentyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide
CID 64686059
N-cyclopropyl-2-piperidin-4-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119715455
N-cyclopropyl-3-(2-nitroanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 46598567
N-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 134004505
4-(5-chlorothiophen-2-yl)-N-cyclopropyl-4-oxo-N-(thiophen-2-ylmethyl)butanamide
CID 55599478

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(methylamino)-N-(thiophen-2-ylmethyl)butanamide;hydrochloride?
The IUPAC name of N-cyclopropyl-4-(methylamino)-N-(thiophen-2-ylmethyl)butanamide;hydrochloride (CID 119715445) is N-cyclopropyl-4-(methylamino)-N-(thiophen-2-ylmethyl)butanamide;hydrochloride.
What is the SMILES notation for N-cyclopropyl-4-(methylamino)-N-(thiophen-2-ylmethyl)butanamide;hydrochloride?
The canonical SMILES for N-cyclopropyl-4-(methylamino)-N-(thiophen-2-ylmethyl)butanamide;hydrochloride is CNCCCC(=O)N(Cc1cccs1)C1CC1.Cl.
What is the InChIKey of N-cyclopropyl-4-(methylamino)-N-(thiophen-2-ylmethyl)butanamide;hydrochloride?
The InChIKey is FJFYLIRNSRLKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS.ClH/c1-14-8-2-5-13(16)15(11-6-7-11)10-12-4-3-9-17-12;/h3-4,9,11,14H,2,5-8,10H2,1H3;1H.
What are the key properties of N-cyclopropyl-4-(methylamino)-N-(thiophen-2-ylmethyl)butanamide;hydrochloride?
N-cyclopropyl-4-(methylamino)-N-(thiophen-2-ylmethyl)butanamide;hydrochloride has a molecular weight of 288.84 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(methylamino)-N-(thiophen-2-ylmethyl)butanamide;hydrochloride is sourced from PubChem (CID 119715445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).