5,5-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thian-3-amine

C16H26N2OS — CID 79958638

IUPAC5,5-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thian-3-amine
SMILESCC(C)Oc1ncccc1CNC1CSCC(C)(C)C1
InChIInChI=1S/C16H26N2OS/c1-12(2)19-15-13(6-5-7-17-15)9-18-14-8-16(3,4)11-20-10-14/h5-7,12,14,18H,8-11H2,1-4H3
InChIKeyFLCPLEXZFLVYCP-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.49
Rot. Bonds5

About 5,5-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thian-3-amine

5,5-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thian-3-amine (PubChem CID 79958638) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 5,5-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thian-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thian-3-amine
PubChem CID79958638
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name5,5-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thian-3-amine
SMILESCC(C)Oc1ncccc1CNC1CSCC(C)(C)C1
InChIInChI=1S/C16H26N2OS/c1-12(2)19-15-13(6-5-7-17-15)9-18-14-8-16(3,4)11-20-10-14/h5-7,12,14,18H,8-11H2,1-4H3
InChIKeyFLCPLEXZFLVYCP-UHFFFAOYSA-N
XLogP3.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,5-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thian-3-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526
3-propan-2-yl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclobutan-1-amine
CID 103561785
5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiolan-3-amine
CID 79950310
4-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexan-1-amine
CID 61373850
4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexane-1,4-diamine
CID 79741488
2,2-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopentan-1-amine
CID 79860528
5,5-dimethyl-N-(pyridin-3-ylmethyl)thian-3-amine
CID 79955058
2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]cyclopentan-1-ol
CID 61374613
N-[(2,5-difluorophenyl)methyl]-5,5-dimethylthian-3-amine
CID 79959140
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
N-[(2-methoxy-3-pyridinyl)methyl]thian-3-amine
CID 62870914
N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62291950

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thian-3-amine?
The IUPAC name of 5,5-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thian-3-amine (CID 79958638) is 5,5-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thian-3-amine.
What is the SMILES notation for 5,5-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thian-3-amine?
The canonical SMILES for 5,5-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thian-3-amine is CC(C)Oc1ncccc1CNC1CSCC(C)(C)C1.
What is the InChIKey of 5,5-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thian-3-amine?
The InChIKey is FLCPLEXZFLVYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-12(2)19-15-13(6-5-7-17-15)9-18-14-8-16(3,4)11-20-10-14/h5-7,12,14,18H,8-11H2,1-4H3.
What are the key properties of 5,5-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thian-3-amine?
5,5-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thian-3-amine has a molecular weight of 294.46 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thian-3-amine is sourced from PubChem (CID 79958638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).