2-propan-2-yl-1,3-thiazinane;hydrochloride

C7H16ClNS — CID 3061403

IUPAC2-propan-2-yl-1,3-thiazinane;hydrochloride
SMILESCC(C)C1NCCCS1.Cl
InChIInChI=1S/C7H15NS.ClH/c1-6(2)7-8-4-3-5-9-7;/h6-8H,3-5H2,1-2H3;1H
InChIKeyLPZXVEYJFMQVPR-UHFFFAOYSA-N
MW181.73 g/mol
LogP2.12
Rot. Bonds1

About 2-propan-2-yl-1,3-thiazinane;hydrochloride

2-propan-2-yl-1,3-thiazinane;hydrochloride (PubChem CID 3061403) has the molecular formula C7H16ClNS and a molecular weight of 181.73 g/mol. Its IUPAC name is 2-propan-2-yl-1,3-thiazinane;hydrochloride.

Molecular Properties

Compound Name2-propan-2-yl-1,3-thiazinane;hydrochloride
PubChem CID3061403
Molecular FormulaC7H16ClNS
Molecular Weight181.73 g/mol
Exact Mass181.07
IUPAC Name2-propan-2-yl-1,3-thiazinane;hydrochloride
SMILESCC(C)C1NCCCS1.Cl
InChIInChI=1S/C7H15NS.ClH/c1-6(2)7-8-4-3-5-9-7;/h6-8H,3-5H2,1-2H3;1H
InChIKeyLPZXVEYJFMQVPR-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.73
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,3-thiazinane;hydrochloride?
The IUPAC name of 2-propan-2-yl-1,3-thiazinane;hydrochloride (CID 3061403) is 2-propan-2-yl-1,3-thiazinane;hydrochloride.
What is the SMILES notation for 2-propan-2-yl-1,3-thiazinane;hydrochloride?
The canonical SMILES for 2-propan-2-yl-1,3-thiazinane;hydrochloride is CC(C)C1NCCCS1.Cl.
What is the InChIKey of 2-propan-2-yl-1,3-thiazinane;hydrochloride?
The InChIKey is LPZXVEYJFMQVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS.ClH/c1-6(2)7-8-4-3-5-9-7;/h6-8H,3-5H2,1-2H3;1H.
What are the key properties of 2-propan-2-yl-1,3-thiazinane;hydrochloride?
2-propan-2-yl-1,3-thiazinane;hydrochloride has a molecular weight of 181.73 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,3-thiazinane;hydrochloride is sourced from PubChem (CID 3061403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).