3-amino-N-(2-methyl-3-methylsulfanylpropyl)oxolane-3-carboxamide

C10H20N2O2S — CID 64892611

IUPAC3-amino-N-(2-methyl-3-methylsulfanylpropyl)oxolane-3-carboxamide
SMILESCSCC(C)CNC(=O)C1(N)CCOC1
InChIInChI=1S/C10H20N2O2S/c1-8(6-15-2)5-12-9(13)10(11)3-4-14-7-10/h8H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyVITFXNCKISFCEN-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.22
Rot. Bonds5

About 3-amino-N-(2-methyl-3-methylsulfanylpropyl)oxolane-3-carboxamide

3-amino-N-(2-methyl-3-methylsulfanylpropyl)oxolane-3-carboxamide (PubChem CID 64892611) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-3-methylsulfanylpropyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methyl-3-methylsulfanylpropyl)oxolane-3-carboxamide
PubChem CID64892611
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name3-amino-N-(2-methyl-3-methylsulfanylpropyl)oxolane-3-carboxamide
SMILESCSCC(C)CNC(=O)C1(N)CCOC1
InChIInChI=1S/C10H20N2O2S/c1-8(6-15-2)5-12-9(13)10(11)3-4-14-7-10/h8H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyVITFXNCKISFCEN-UHFFFAOYSA-N
XLogP0.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3-methoxy-2-methylpropyl)oxolane-3-carboxamide
CID 64891602
4-carbamothioyl-N-(2-methyl-3-methylsulfanylpropyl)oxane-4-carboxamide
CID 63958694
methyl 3-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxypropanoate
CID 107222740
1-(2-methyl-3-methylsulfanylpropyl)-3-(3-methyloxolan-3-yl)urea
CID 84590729
3-amino-N-(3-methylbutyl)oxolane-3-carboxamide
CID 64892075
3-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]oxolane-3-carboxylic acid
CID 64894113
3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)oxolane-3-carboxamide
CID 106161513
4-amino-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide
CID 102905819
1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 63959927
3-[(3-aminooxolane-3-carbonyl)amino]butanoic acid
CID 64894006
4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide
CID 115294865
3-amino-N-but-3-yn-2-yloxolane-3-carboxamide
CID 114417231

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-3-methylsulfanylpropyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(2-methyl-3-methylsulfanylpropyl)oxolane-3-carboxamide (CID 64892611) is 3-amino-N-(2-methyl-3-methylsulfanylpropyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methyl-3-methylsulfanylpropyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(2-methyl-3-methylsulfanylpropyl)oxolane-3-carboxamide is CSCC(C)CNC(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-(2-methyl-3-methylsulfanylpropyl)oxolane-3-carboxamide?
The InChIKey is VITFXNCKISFCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-8(6-15-2)5-12-9(13)10(11)3-4-14-7-10/h8H,3-7,11H2,1-2H3,(H,12,13).
What are the key properties of 3-amino-N-(2-methyl-3-methylsulfanylpropyl)oxolane-3-carboxamide?
3-amino-N-(2-methyl-3-methylsulfanylpropyl)oxolane-3-carboxamide has a molecular weight of 232.35 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methyl-3-methylsulfanylpropyl)oxolane-3-carboxamide is sourced from PubChem (CID 64892611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).