N-[(1,1-dioxothiolan-3-yl)methyl]-1-methoxypropan-2-amine

C9H19NO3S — CID 62535871

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C9H19NO3S/c1-8(6-13-2)10-5-9-3-4-14(11,12)7-9/h8-10H,3-7H2,1-2H3
InChIKeyAVFQYCRMAJRAGZ-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.05
Rot. Bonds5

About N-[(1,1-dioxothiolan-3-yl)methyl]-1-methoxypropan-2-amine

N-[(1,1-dioxothiolan-3-yl)methyl]-1-methoxypropan-2-amine (PubChem CID 62535871) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-1-methoxypropan-2-amine
PubChem CID62535871
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C9H19NO3S/c1-8(6-13-2)10-5-9-3-4-14(11,12)7-9/h8-10H,3-7H2,1-2H3
InChIKeyAVFQYCRMAJRAGZ-UHFFFAOYSA-N
XLogP0.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-1-methoxypropan-2-amine (CID 62535871) is N-[(1,1-dioxothiolan-3-yl)methyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-1-methoxypropan-2-amine is COCC(C)NCC1CCS(=O)(=O)C1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-1-methoxypropan-2-amine?
The InChIKey is AVFQYCRMAJRAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-8(6-13-2)10-5-9-3-4-14(11,12)7-9/h8-10H,3-7H2,1-2H3.
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-1-methoxypropan-2-amine?
N-[(1,1-dioxothiolan-3-yl)methyl]-1-methoxypropan-2-amine has a molecular weight of 221.32 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 62535871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).