1,1-dimethyl-3-propan-2-yl-1,3-thiazinane

C9H21NS — CID 166981611

IUPAC1,1-dimethyl-3-propan-2-yl-1,3-thiazinane
SMILESCC(C)N1CCCS(C)(C)C1
InChIInChI=1S/C9H21NS/c1-9(2)10-6-5-7-11(3,4)8-10/h9H,5-8H2,1-4H3
InChIKeyCMFGSSDJFOTFSK-UHFFFAOYSA-N
MW175.34 g/mol
LogP2.12
Rot. Bonds1

About 1,1-dimethyl-3-propan-2-yl-1,3-thiazinane

1,1-dimethyl-3-propan-2-yl-1,3-thiazinane (PubChem CID 166981611) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is 1,1-dimethyl-3-propan-2-yl-1,3-thiazinane.

Molecular Properties

Compound Name1,1-dimethyl-3-propan-2-yl-1,3-thiazinane
PubChem CID166981611
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC Name1,1-dimethyl-3-propan-2-yl-1,3-thiazinane
SMILESCC(C)N1CCCS(C)(C)C1
InChIInChI=1S/C9H21NS/c1-9(2)10-6-5-7-11(3,4)8-10/h9H,5-8H2,1-4H3
InChIKeyCMFGSSDJFOTFSK-UHFFFAOYSA-N
XLogP2.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-propan-2-yl-1,3-thiazinane?
The IUPAC name of 1,1-dimethyl-3-propan-2-yl-1,3-thiazinane (CID 166981611) is 1,1-dimethyl-3-propan-2-yl-1,3-thiazinane.
What is the SMILES notation for 1,1-dimethyl-3-propan-2-yl-1,3-thiazinane?
The canonical SMILES for 1,1-dimethyl-3-propan-2-yl-1,3-thiazinane is CC(C)N1CCCS(C)(C)C1.
What is the InChIKey of 1,1-dimethyl-3-propan-2-yl-1,3-thiazinane?
The InChIKey is CMFGSSDJFOTFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS/c1-9(2)10-6-5-7-11(3,4)8-10/h9H,5-8H2,1-4H3.
What are the key properties of 1,1-dimethyl-3-propan-2-yl-1,3-thiazinane?
1,1-dimethyl-3-propan-2-yl-1,3-thiazinane has a molecular weight of 175.34 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-propan-2-yl-1,3-thiazinane is sourced from PubChem (CID 166981611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).