N-(2-amino-1-cyclopropylethyl)-2-methyl-3-methylsulfanylpropanamide

C10H20N2OS — CID 119613815

IUPACN-(2-amino-1-cyclopropylethyl)-2-methyl-3-methylsulfanylpropanamide
SMILESCSCC(C)C(=O)NC(CN)C1CC1
InChIInChI=1S/C10H20N2OS/c1-7(6-14-2)10(13)12-9(5-11)8-3-4-8/h7-9H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyDTTQFQRLHWKBNO-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.84
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-2-methyl-3-methylsulfanylpropanamide

N-(2-amino-1-cyclopropylethyl)-2-methyl-3-methylsulfanylpropanamide (PubChem CID 119613815) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-methyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-methyl-3-methylsulfanylpropanamide
PubChem CID119613815
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-methyl-3-methylsulfanylpropanamide
SMILESCSCC(C)C(=O)NC(CN)C1CC1
InChIInChI=1S/C10H20N2OS/c1-7(6-14-2)10(13)12-9(5-11)8-3-4-8/h7-9H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyDTTQFQRLHWKBNO-UHFFFAOYSA-N
XLogP0.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2,3-dimethylbutanamide
CID 65188578
N-(2-amino-1-cyclopropylethyl)-2-methoxypropanamide
CID 115737526
N-(1-cyclopentyl-2-phenylethyl)-2-methyl-3-methylsulfanylpropanamide
CID 86902888
N-(2-amino-1-cyclopropylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride
CID 119613963
2-(4-acetamidophenyl)sulfanyl-N-(2-amino-1-cyclopropylethyl)propanamide
CID 119615568
N-(2-amino-1-cyclopropylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 119613879
N-(2-amino-1-cyclopropylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119613878
N-(2-amino-1-cyclopropylethyl)-2-methyl-4-phenoxybutanamide;hydrochloride
CID 119617229
N-(2-amino-1-cyclopropylethyl)-2-benzylsulfanylpropanamide
CID 119613585
N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride
CID 119590156
(2S)-N-(2-amino-1-cyclopropylethyl)-2-[(2-methoxyacetyl)amino]-3-methylbutanamide;hydrochloride
CID 119615222
N-(2-amino-1-cyclopropylethyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
CID 119613885

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-methyl-3-methylsulfanylpropanamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-methyl-3-methylsulfanylpropanamide (CID 119613815) is N-(2-amino-1-cyclopropylethyl)-2-methyl-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-methyl-3-methylsulfanylpropanamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-methyl-3-methylsulfanylpropanamide is CSCC(C)C(=O)NC(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-methyl-3-methylsulfanylpropanamide?
The InChIKey is DTTQFQRLHWKBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-7(6-14-2)10(13)12-9(5-11)8-3-4-8/h7-9H,3-6,11H2,1-2H3,(H,12,13).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-methyl-3-methylsulfanylpropanamide?
N-(2-amino-1-cyclopropylethyl)-2-methyl-3-methylsulfanylpropanamide has a molecular weight of 216.35 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-methyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 119613815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).