2,2-dimethyl-N-(2-methylthian-3-yl)oxan-4-amine

C13H25NOS — CID 83033114

IUPAC2,2-dimethyl-N-(2-methylthian-3-yl)oxan-4-amine
SMILESCC1SCCCC1NC1CCOC(C)(C)C1
InChIInChI=1S/C13H25NOS/c1-10-12(5-4-8-16-10)14-11-6-7-15-13(2,3)9-11/h10-12,14H,4-9H2,1-3H3
InChIKeyLIRTTZRMIIBDHS-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.82
Rot. Bonds2

About 2,2-dimethyl-N-(2-methylthian-3-yl)oxan-4-amine

2,2-dimethyl-N-(2-methylthian-3-yl)oxan-4-amine (PubChem CID 83033114) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylthian-3-yl)oxan-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methylthian-3-yl)oxan-4-amine
PubChem CID83033114
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name2,2-dimethyl-N-(2-methylthian-3-yl)oxan-4-amine
SMILESCC1SCCCC1NC1CCOC(C)(C)C1
InChIInChI=1S/C13H25NOS/c1-10-12(5-4-8-16-10)14-11-6-7-15-13(2,3)9-11/h10-12,14H,4-9H2,1-3H3
InChIKeyLIRTTZRMIIBDHS-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2,2-dimethyloxan-4-yl)amino]cyclohexyl]methanol
CID 106359775
N-(2,6-dimethyloxan-4-yl)-2,2-dimethyloxan-4-amine
CID 83033712
N-(2,2-dimethyloxan-4-yl)-1,2,5-trimethylpiperidin-4-amine
CID 83032693
N-(1,1-dioxothian-4-yl)-2-methylthian-3-amine
CID 79957007
N-(2,2-dimethyloxan-4-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 83033541
2-methyl-N-(2-methylcyclohexyl)thian-3-amine
CID 79956809
4-[(2-methylthian-3-yl)amino]cyclohexane-1-carboxamide
CID 79956852
N-(2,3-dimethylcyclohexyl)-2-methylthian-3-amine
CID 79957712
N-(2,2-dimethyloxan-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 83033630
N-(2-methylthian-3-yl)-1-propylpiperidin-4-amine
CID 79956542
2,2-dimethyl-N-[(2-methylcyclopentyl)methyl]oxan-4-amine
CID 107417295
N-(2,2-dimethyloxan-4-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106075141

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methylthian-3-yl)oxan-4-amine?
The IUPAC name of 2,2-dimethyl-N-(2-methylthian-3-yl)oxan-4-amine (CID 83033114) is 2,2-dimethyl-N-(2-methylthian-3-yl)oxan-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2-methylthian-3-yl)oxan-4-amine?
The canonical SMILES for 2,2-dimethyl-N-(2-methylthian-3-yl)oxan-4-amine is CC1SCCCC1NC1CCOC(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-N-(2-methylthian-3-yl)oxan-4-amine?
The InChIKey is LIRTTZRMIIBDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-10-12(5-4-8-16-10)14-11-6-7-15-13(2,3)9-11/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(2-methylthian-3-yl)oxan-4-amine?
2,2-dimethyl-N-(2-methylthian-3-yl)oxan-4-amine has a molecular weight of 243.42 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methylthian-3-yl)oxan-4-amine is sourced from PubChem (CID 83033114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).