2,2-dimethyl-4-[(1-methylcyclopropyl)methyl]thiomorpholine

C11H21NS — CID 126999480

IUPAC2,2-dimethyl-4-[(1-methylcyclopropyl)methyl]thiomorpholine
SMILESCC1(CN2CCSC(C)(C)C2)CC1
InChIInChI=1S/C11H21NS/c1-10(2)8-12(6-7-13-10)9-11(3)4-5-11/h4-9H2,1-3H3
InChIKeyXCDOPSJTCKBMAI-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.61
Rot. Bonds2

About 2,2-dimethyl-4-[(1-methylcyclopropyl)methyl]thiomorpholine

2,2-dimethyl-4-[(1-methylcyclopropyl)methyl]thiomorpholine (PubChem CID 126999480) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 2,2-dimethyl-4-[(1-methylcyclopropyl)methyl]thiomorpholine.

Molecular Properties

Compound Name2,2-dimethyl-4-[(1-methylcyclopropyl)methyl]thiomorpholine
PubChem CID126999480
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name2,2-dimethyl-4-[(1-methylcyclopropyl)methyl]thiomorpholine
SMILESCC1(CN2CCSC(C)(C)C2)CC1
InChIInChI=1S/C11H21NS/c1-10(2)8-12(6-7-13-10)9-11(3)4-5-11/h4-9H2,1-3H3
InChIKeyXCDOPSJTCKBMAI-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylthiomorpholine
CID 116680473
3-(2,2-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-ol
CID 115773092
4-(2-chloroprop-2-enyl)-2,2-dimethylthiomorpholine
CID 130739907
(2R)-1-(2,2-dimethylthiomorpholin-4-yl)butan-2-ol
CID 130162029
7,7-dimethyl-4-[(3-methylpiperidin-3-yl)methyl]-1,4-thiazepane
CID 107456174
4-[[1-(bromomethyl)cyclopropyl]methyl]-7,7-dimethyl-1,4-thiazepane
CID 107458344
4-(2-fluoroethyl)-7,7-dimethyl-1,4-thiazepane
CID 130739897
6-(2,2-dimethylthiomorpholin-4-yl)hexan-3-one
CID 106801591
7-[(2,2-dimethylthiomorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114948383
1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexan-1-ol
CID 107271986
4-(2,2-dimethylthiomorpholin-4-yl)-2-ethylbut-2-enoic acid
CID 104874800
4-butyl-7,7-dimethyl-1,4-thiazepane
CID 130684561

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[(1-methylcyclopropyl)methyl]thiomorpholine?
The IUPAC name of 2,2-dimethyl-4-[(1-methylcyclopropyl)methyl]thiomorpholine (CID 126999480) is 2,2-dimethyl-4-[(1-methylcyclopropyl)methyl]thiomorpholine.
What is the SMILES notation for 2,2-dimethyl-4-[(1-methylcyclopropyl)methyl]thiomorpholine?
The canonical SMILES for 2,2-dimethyl-4-[(1-methylcyclopropyl)methyl]thiomorpholine is CC1(CN2CCSC(C)(C)C2)CC1.
What is the InChIKey of 2,2-dimethyl-4-[(1-methylcyclopropyl)methyl]thiomorpholine?
The InChIKey is XCDOPSJTCKBMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-10(2)8-12(6-7-13-10)9-11(3)4-5-11/h4-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-[(1-methylcyclopropyl)methyl]thiomorpholine?
2,2-dimethyl-4-[(1-methylcyclopropyl)methyl]thiomorpholine has a molecular weight of 199.36 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[(1-methylcyclopropyl)methyl]thiomorpholine is sourced from PubChem (CID 126999480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).