N-propan-2-yl-3-(propan-2-ylsulfinylmethoxy)propanamide

C10H21NO3S — CID 58291529

IUPACN-propan-2-yl-3-(propan-2-ylsulfinylmethoxy)propanamide
SMILESCC(C)NC(=O)CCOCS(=O)C(C)C
InChIInChI=1S/C10H21NO3S/c1-8(2)11-10(12)5-6-14-7-15(13)9(3)4/h8-9H,5-7H2,1-4H3,(H,11,12)
InChIKeyQSMMGYFRRAFJHH-UHFFFAOYSA-N
MW235.35 g/mol
LogP1.03
Rot. Bonds7

About N-propan-2-yl-3-(propan-2-ylsulfinylmethoxy)propanamide

N-propan-2-yl-3-(propan-2-ylsulfinylmethoxy)propanamide (PubChem CID 58291529) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-propan-2-yl-3-(propan-2-ylsulfinylmethoxy)propanamide.

Molecular Properties

Compound NameN-propan-2-yl-3-(propan-2-ylsulfinylmethoxy)propanamide
PubChem CID58291529
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC NameN-propan-2-yl-3-(propan-2-ylsulfinylmethoxy)propanamide
SMILESCC(C)NC(=O)CCOCS(=O)C(C)C
InChIInChI=1S/C10H21NO3S/c1-8(2)11-10(12)5-6-14-7-15(13)9(3)4/h8-9H,5-7H2,1-4H3,(H,11,12)
InChIKeyQSMMGYFRRAFJHH-UHFFFAOYSA-N
XLogP1.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-methylpropoxy)-N-propan-2-ylpropanamide
CID 134180338
N-propan-2-yl-3-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 178062676
3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylpropanamide
CID 177120957
3-(2-butoxyethoxy)-N-propan-2-ylpropanamide
CID 154677786
ethane;3-(2-ethoxyethoxy)-N-propan-2-ylpropanamide;molecular hydrogen
CID 178062930
3-[2-(3,3-dimethylbutoxy)ethoxy]-N-propan-2-ylpropanamide
CID 155795090
3-methyl-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide
CID 178063167
N-[2-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]-N'-propan-2-ylpentanediamide
CID 170207685
2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]ethoxy]-N-propan-2-ylacetamide
CID 166950643
ethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide
CID 166081207
3-(methoxyamino)-N-propan-2-ylpropanamide
CID 60970227
N,N'-di(propan-2-yl)decanediamide
CID 58997511

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(propan-2-ylsulfinylmethoxy)propanamide?
The IUPAC name of N-propan-2-yl-3-(propan-2-ylsulfinylmethoxy)propanamide (CID 58291529) is N-propan-2-yl-3-(propan-2-ylsulfinylmethoxy)propanamide.
What is the SMILES notation for N-propan-2-yl-3-(propan-2-ylsulfinylmethoxy)propanamide?
The canonical SMILES for N-propan-2-yl-3-(propan-2-ylsulfinylmethoxy)propanamide is CC(C)NC(=O)CCOCS(=O)C(C)C.
What is the InChIKey of N-propan-2-yl-3-(propan-2-ylsulfinylmethoxy)propanamide?
The InChIKey is QSMMGYFRRAFJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-8(2)11-10(12)5-6-14-7-15(13)9(3)4/h8-9H,5-7H2,1-4H3,(H,11,12).
What are the key properties of N-propan-2-yl-3-(propan-2-ylsulfinylmethoxy)propanamide?
N-propan-2-yl-3-(propan-2-ylsulfinylmethoxy)propanamide has a molecular weight of 235.35 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(propan-2-ylsulfinylmethoxy)propanamide is sourced from PubChem (CID 58291529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).