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

C9H19NS — CID 12634519

IUPAC3-ethyl-2-propan-2-yl-1,3-thiazinane
SMILESCCN1CCCSC1C(C)C
InChIInChI=1S/C9H19NS/c1-4-10-6-5-7-11-9(10)8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyIDZDWNZOTOEQEG-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.43
Rot. Bonds2

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

3-ethyl-2-propan-2-yl-1,3-thiazinane (PubChem CID 12634519) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 3-ethyl-2-propan-2-yl-1,3-thiazinane.

Molecular Properties

Compound Name3-ethyl-2-propan-2-yl-1,3-thiazinane
PubChem CID12634519
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name3-ethyl-2-propan-2-yl-1,3-thiazinane
SMILESCCN1CCCSC1C(C)C
InChIInChI=1S/C9H19NS/c1-4-10-6-5-7-11-9(10)8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyIDZDWNZOTOEQEG-UHFFFAOYSA-N
XLogP2.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Isobutyl 2-diethylaminoethyl sulfide
CID 58756929
2,2-Dimethyl-4-(3-methylbutyl)thiomorpholine
CID 130726719
4-Butylthiomorpholine
CID 12517933
InChI=1/C6H13NS/c1-2-7-4-3-5-8-6-7/h2-6H2,1H
CID 12634516
3-Tert-butyl-1,3-thiazinane
CID 12634521
4-(3-Fluoropropyl)-2,2-dimethylthiomorpholine
CID 126995601
(2R)-3-ethyl-2-methyl-1,3-thiazinane
CID 5325807
3-Ethyl-2-methyl-1,3-thiazinane
CID 12634517
2,3-Diethyl-1,3-thiazinane
CID 12634518
4-Butyl-2-methylthiomorpholine
CID 13356761
2,3-Dimethyl-1,3-thiazinane
CID 12634515
4-Ethyl-2,6-dimethylthiomorpholine
CID 12869168

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-propan-2-yl-1,3-thiazinane?
The IUPAC name of 3-ethyl-2-propan-2-yl-1,3-thiazinane (CID 12634519) is 3-ethyl-2-propan-2-yl-1,3-thiazinane.
What is the SMILES notation for 3-ethyl-2-propan-2-yl-1,3-thiazinane?
The canonical SMILES for 3-ethyl-2-propan-2-yl-1,3-thiazinane is CCN1CCCSC1C(C)C.
What is the InChIKey of 3-ethyl-2-propan-2-yl-1,3-thiazinane?
The InChIKey is IDZDWNZOTOEQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-4-10-6-5-7-11-9(10)8(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-ethyl-2-propan-2-yl-1,3-thiazinane?
3-ethyl-2-propan-2-yl-1,3-thiazinane has a molecular weight of 173.32 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-propan-2-yl-1,3-thiazinane is sourced from PubChem (CID 12634519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).