N-[(1,1-dioxothiolan-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine

C12H25NO3S — CID 54915641

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(C)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C12H25NO3S/c1-10(7-12(2,3)16-4)13-8-11-5-6-17(14,15)9-11/h10-11,13H,5-9H2,1-4H3
InChIKeyVEIYCLHNCYFQAX-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.21
Rot. Bonds6

About N-[(1,1-dioxothiolan-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine

N-[(1,1-dioxothiolan-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine (PubChem CID 54915641) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine
PubChem CID54915641
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(C)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C12H25NO3S/c1-10(7-12(2,3)16-4)13-8-11-5-6-17(14,15)9-11/h10-11,13H,5-9H2,1-4H3
InChIKeyVEIYCLHNCYFQAX-UHFFFAOYSA-N
XLogP1.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.21
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]-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine (CID 54915641) is N-[(1,1-dioxothiolan-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine is COC(C)(C)CC(C)NCC1CCS(=O)(=O)C1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine?
The InChIKey is VEIYCLHNCYFQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-10(7-12(2,3)16-4)13-8-11-5-6-17(14,15)9-11/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine?
N-[(1,1-dioxothiolan-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine has a molecular weight of 263.40 g/mol, XLogP of 1.21, 6 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]-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 54915641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).