N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothian-4-amine

C12H25NO3S — CID 43614802

IUPACN-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothian-4-amine
SMILESCOC(C)(C)CC(C)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C12H25NO3S/c1-10(9-12(2,3)16-4)13-11-5-7-17(14,15)8-6-11/h10-11,13H,5-9H2,1-4H3
InChIKeyIANXFWLFJNYMTL-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.36
Rot. Bonds5

About N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothian-4-amine

N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothian-4-amine (PubChem CID 43614802) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothian-4-amine
PubChem CID43614802
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothian-4-amine
SMILESCOC(C)(C)CC(C)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C12H25NO3S/c1-10(9-12(2,3)16-4)13-11-5-7-17(14,15)8-6-11/h10-11,13H,5-9H2,1-4H3
InChIKeyIANXFWLFJNYMTL-UHFFFAOYSA-N
XLogP1.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-Dioxo-3-[(propan-2-ylamino)methyl]thian-3-ol
CID 64138148
N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothiolan-3-amine
CID 43146974
1-ethylsulfonyl-N-(4-methoxy-4-methylpentan-2-yl)piperidin-4-amine
CID 43147235
N-(3-ethoxypropyl)-1,1-dioxothian-4-amine
CID 43511558
N-(3-methoxypropyl)-1,1-dioxothian-4-amine
CID 43511645
N-[3-(2-methylpropoxy)propyl]-1,1-dioxothian-4-amine
CID 43511660
1,1-dioxo-N-(3-propan-2-yloxypropyl)thian-4-amine
CID 43511688
2-[(4-Methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide
CID 43551690
N-(4-methoxy-4-methylpentan-2-yl)-3-methyl-1,1-dioxothiolan-3-amine
CID 43679665
N-[(1,1-dioxothiolan-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine
CID 54915641
2-[(3-methoxy-1,3-dimethylbutyl)amino]-N,N-dimethylethanesulfonamide
CID 56722886
4-methoxy-4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine
CID 60920039

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothian-4-amine?
The IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothian-4-amine (CID 43614802) is N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothian-4-amine.
What is the SMILES notation for N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothian-4-amine?
The canonical SMILES for N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothian-4-amine is COC(C)(C)CC(C)NC1CCS(=O)(=O)CC1.
What is the InChIKey of N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothian-4-amine?
The InChIKey is IANXFWLFJNYMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-10(9-12(2,3)16-4)13-11-5-7-17(14,15)8-6-11/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothian-4-amine?
N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothian-4-amine has a molecular weight of 263.40 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-4-methylpentan-2-yl)-1,1-dioxothian-4-amine is sourced from PubChem (CID 43614802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).