N-(3-methoxy-3-methylbutyl)-1-oxothian-4-amine

C11H23NO2S — CID 103033602

IUPACN-(3-methoxy-3-methylbutyl)-1-oxothian-4-amine
SMILESCOC(C)(C)CCNC1CCS(=O)CC1
InChIInChI=1S/C11H23NO2S/c1-11(2,14-3)6-7-12-10-4-8-15(13)9-5-10/h10,12H,4-9H2,1-3H3
InChIKeyKJAYGZWLAQKFCD-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.30
Rot. Bonds5

About N-(3-methoxy-3-methylbutyl)-1-oxothian-4-amine

N-(3-methoxy-3-methylbutyl)-1-oxothian-4-amine (PubChem CID 103033602) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-(3-methoxy-3-methylbutyl)-1-oxothian-4-amine.

Molecular Properties

Compound NameN-(3-methoxy-3-methylbutyl)-1-oxothian-4-amine
PubChem CID103033602
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-(3-methoxy-3-methylbutyl)-1-oxothian-4-amine
SMILESCOC(C)(C)CCNC1CCS(=O)CC1
InChIInChI=1S/C11H23NO2S/c1-11(2,14-3)6-7-12-10-4-8-15(13)9-5-10/h10,12H,4-9H2,1-3H3
InChIKeyKJAYGZWLAQKFCD-UHFFFAOYSA-N
XLogP1.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-3-methylbutyl)-1-oxothian-4-amine?
The IUPAC name of N-(3-methoxy-3-methylbutyl)-1-oxothian-4-amine (CID 103033602) is N-(3-methoxy-3-methylbutyl)-1-oxothian-4-amine.
What is the SMILES notation for N-(3-methoxy-3-methylbutyl)-1-oxothian-4-amine?
The canonical SMILES for N-(3-methoxy-3-methylbutyl)-1-oxothian-4-amine is COC(C)(C)CCNC1CCS(=O)CC1.
What is the InChIKey of N-(3-methoxy-3-methylbutyl)-1-oxothian-4-amine?
The InChIKey is KJAYGZWLAQKFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-11(2,14-3)6-7-12-10-4-8-15(13)9-5-10/h10,12H,4-9H2,1-3H3.
What are the key properties of N-(3-methoxy-3-methylbutyl)-1-oxothian-4-amine?
N-(3-methoxy-3-methylbutyl)-1-oxothian-4-amine has a molecular weight of 233.38 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-3-methylbutyl)-1-oxothian-4-amine is sourced from PubChem (CID 103033602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).