N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropanamide

C11H22N2OS — CID 119573041

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropanamide
SMILESCSCC(C)C(=O)NC(C)(CN)C1CC1
InChIInChI=1S/C11H22N2OS/c1-8(6-15-3)10(14)13-11(2,7-12)9-4-5-9/h8-9H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyGCBUGTUVZXHXHA-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.23
Rot. Bonds6

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropanamide

N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropanamide (PubChem CID 119573041) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropanamide
PubChem CID119573041
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropanamide
SMILESCSCC(C)C(=O)NC(C)(CN)C1CC1
InChIInChI=1S/C11H22N2OS/c1-8(6-15-3)10(14)13-11(2,7-12)9-4-5-9/h8-9H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyGCBUGTUVZXHXHA-UHFFFAOYSA-N
XLogP1.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexyl-2-methylpropanamide;hydrochloride
CID 119574532
2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
CID 115910047
N-(1-amino-2-cyclopropylpropan-2-yl)-2-cyclopropylpropanamide;hydrochloride
CID 119573506
N-(1-amino-2-cyclopropylpropan-2-yl)acetamide
CID 81486890
N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 119575220
N-(1-amino-2-cyclopropylpropan-2-yl)-2-butoxypropanamide
CID 119575434
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)propanamide
CID 119574218
1-(1-amino-2-cyclopropylpropan-2-yl)-3-ethylurea
CID 115307789
1-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclopropylurea
CID 115307810
N-(1-amino-2-cyclopropylpropan-2-yl)-2,2,3,3-tetrafluoropropanamide
CID 103806938
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromophenoxy)propanamide
CID 119575701
2-[(4-acetamidophenyl)sulfonylamino]-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide
CID 119574894

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropanamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropanamide (CID 119573041) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropanamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropanamide is CSCC(C)C(=O)NC(C)(CN)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropanamide?
The InChIKey is GCBUGTUVZXHXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-8(6-15-3)10(14)13-11(2,7-12)9-4-5-9/h8-9H,4-7,12H2,1-3H3,(H,13,14).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropanamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropanamide has a molecular weight of 230.38 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 119573041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).