1-amino-N-(2-ethyl-2-methylsulfanylbutyl)cyclopropane-1-carboxamide;hydrochloride

C11H23ClN2OS — CID 119809809

IUPAC1-amino-N-(2-ethyl-2-methylsulfanylbutyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCCC(CC)(CNC(=O)C1(N)CC1)SC.Cl
InChIInChI=1S/C11H22N2OS.ClH/c1-4-10(5-2,15-3)8-13-9(14)11(12)6-7-11;/h4-8,12H2,1-3H3,(H,13,14);1H
InChIKeyNMEHKEMYCYJFOX-UHFFFAOYSA-N
MW266.84 g/mol
LogP1.94
Rot. Bonds6

About 1-amino-N-(2-ethyl-2-methylsulfanylbutyl)cyclopropane-1-carboxamide;hydrochloride

1-amino-N-(2-ethyl-2-methylsulfanylbutyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119809809) has the molecular formula C11H23ClN2OS and a molecular weight of 266.84 g/mol. Its IUPAC name is 1-amino-N-(2-ethyl-2-methylsulfanylbutyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(2-ethyl-2-methylsulfanylbutyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119809809
Molecular FormulaC11H23ClN2OS
Molecular Weight266.84 g/mol
Exact Mass266.12
IUPAC Name1-amino-N-(2-ethyl-2-methylsulfanylbutyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCCC(CC)(CNC(=O)C1(N)CC1)SC.Cl
InChIInChI=1S/C11H22N2OS.ClH/c1-4-10(5-2,15-3)8-13-9(14)11(12)6-7-11;/h4-8,12H2,1-3H3,(H,13,14);1H
InChIKeyNMEHKEMYCYJFOX-UHFFFAOYSA-N
XLogP1.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.84
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-N-(2-ethyl-2-methylsulfanylbutyl)cyclopropane-1-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(2-ethyl-2-methylsulfanylbutyl)oxane-4-carboxamide
CID 113335034
1-cyano-N-(2-ethyl-2-methylsulfanylbutyl)cyclopentane-1-carboxamide
CID 103709316
1-amino-N-ethylcyclopropane-1-carboxamide;hydrochloride
CID 134692608
1-ethyl-3-(2-ethyl-2-methylsulfanylbutyl)urea
CID 103708307
4-amino-N-(2-ethyl-2-methylsulfanylbutyl)-4-methylpentanamide
CID 103812548
1-amino-N-(2-methylsulfanylethyl)cyclopropane-1-carboxamide
CID 65457024
3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427935
methyl 3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoate;hydrochloride
CID 119789332
1-(2-ethyl-2-methylsulfanylbutyl)-3-(2,2,2-trifluoroethyl)urea
CID 113245448
2-(ethylamino)-N-(2-ethyl-2-methylsulfanylbutyl)acetamide
CID 103812546
2-[[(1-aminocyclobutanecarbonyl)amino]methyl]-2-ethylbutanoic acid
CID 113308644
2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)propanamide
CID 103881656

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-ethyl-2-methylsulfanylbutyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(2-ethyl-2-methylsulfanylbutyl)cyclopropane-1-carboxamide;hydrochloride (CID 119809809) is 1-amino-N-(2-ethyl-2-methylsulfanylbutyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(2-ethyl-2-methylsulfanylbutyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(2-ethyl-2-methylsulfanylbutyl)cyclopropane-1-carboxamide;hydrochloride is CCC(CC)(CNC(=O)C1(N)CC1)SC.Cl.
What is the InChIKey of 1-amino-N-(2-ethyl-2-methylsulfanylbutyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is NMEHKEMYCYJFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS.ClH/c1-4-10(5-2,15-3)8-13-9(14)11(12)6-7-11;/h4-8,12H2,1-3H3,(H,13,14);1H.
What are the key properties of 1-amino-N-(2-ethyl-2-methylsulfanylbutyl)cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-(2-ethyl-2-methylsulfanylbutyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 266.84 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-ethyl-2-methylsulfanylbutyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119809809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).