N-(3-methoxy-3-methylbutyl)-1,1-dioxothian-4-amine

C11H23NO3S — CID 103033159

IUPACN-(3-methoxy-3-methylbutyl)-1,1-dioxothian-4-amine
SMILESCOC(C)(C)CCNC1CCS(=O)(=O)CC1
InChIInChI=1S/C11H23NO3S/c1-11(2,15-3)6-7-12-10-4-8-16(13,14)9-5-10/h10,12H,4-9H2,1-3H3
InChIKeyAVSVVURIQDIVDT-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.97
Rot. Bonds5

About N-(3-methoxy-3-methylbutyl)-1,1-dioxothian-4-amine

N-(3-methoxy-3-methylbutyl)-1,1-dioxothian-4-amine (PubChem CID 103033159) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(3-methoxy-3-methylbutyl)-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-(3-methoxy-3-methylbutyl)-1,1-dioxothian-4-amine
PubChem CID103033159
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC NameN-(3-methoxy-3-methylbutyl)-1,1-dioxothian-4-amine
SMILESCOC(C)(C)CCNC1CCS(=O)(=O)CC1
InChIInChI=1S/C11H23NO3S/c1-11(2,15-3)6-7-12-10-4-8-16(13,14)9-5-10/h10,12H,4-9H2,1-3H3
InChIKeyAVSVVURIQDIVDT-UHFFFAOYSA-N
XLogP0.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-3-methylbutyl)-1,1-dioxothian-4-amine?
The IUPAC name of N-(3-methoxy-3-methylbutyl)-1,1-dioxothian-4-amine (CID 103033159) is N-(3-methoxy-3-methylbutyl)-1,1-dioxothian-4-amine.
What is the SMILES notation for N-(3-methoxy-3-methylbutyl)-1,1-dioxothian-4-amine?
The canonical SMILES for N-(3-methoxy-3-methylbutyl)-1,1-dioxothian-4-amine is COC(C)(C)CCNC1CCS(=O)(=O)CC1.
What is the InChIKey of N-(3-methoxy-3-methylbutyl)-1,1-dioxothian-4-amine?
The InChIKey is AVSVVURIQDIVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-11(2,15-3)6-7-12-10-4-8-16(13,14)9-5-10/h10,12H,4-9H2,1-3H3.
What are the key properties of N-(3-methoxy-3-methylbutyl)-1,1-dioxothian-4-amine?
N-(3-methoxy-3-methylbutyl)-1,1-dioxothian-4-amine has a molecular weight of 249.38 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-3-methylbutyl)-1,1-dioxothian-4-amine is sourced from PubChem (CID 103033159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).