N-(2-amino-1-cyclopropylethyl)-2-methyl-2-methylsulfonylpropanamide

C10H20N2O3S — CID 65188588

IUPACN-(2-amino-1-cyclopropylethyl)-2-methyl-2-methylsulfonylpropanamide
SMILESCC(C)(C(=O)NC(CN)C1CC1)S(C)(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-10(2,16(3,14)15)9(13)12-8(6-11)7-4-5-7/h7-8H,4-6,11H2,1-3H3,(H,12,13)
InChIKeyCXNXYNNSJLDOSN-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.34
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-2-methyl-2-methylsulfonylpropanamide

N-(2-amino-1-cyclopropylethyl)-2-methyl-2-methylsulfonylpropanamide (PubChem CID 65188588) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-methyl-2-methylsulfonylpropanamide
PubChem CID65188588
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-methyl-2-methylsulfonylpropanamide
SMILESCC(C)(C(=O)NC(CN)C1CC1)S(C)(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-10(2,16(3,14)15)9(13)12-8(6-11)7-4-5-7/h7-8H,4-6,11H2,1-3H3,(H,12,13)
InChIKeyCXNXYNNSJLDOSN-UHFFFAOYSA-N
XLogP-0.34
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-methyl-2-methylsulfonylpropanamide (CID 65188588) is N-(2-amino-1-cyclopropylethyl)-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-methyl-2-methylsulfonylpropanamide is CC(C)(C(=O)NC(CN)C1CC1)S(C)(=O)=O.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is CXNXYNNSJLDOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-10(2,16(3,14)15)9(13)12-8(6-11)7-4-5-7/h7-8H,4-6,11H2,1-3H3,(H,12,13).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-methyl-2-methylsulfonylpropanamide?
N-(2-amino-1-cyclopropylethyl)-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 248.35 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 65188588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).