3-methyl-4-[(2-methylcyclopropyl)methyl]thiomorpholine

C10H19NS — CID 131176317

IUPAC3-methyl-4-[(2-methylcyclopropyl)methyl]thiomorpholine
SMILESCC1CC1CN1CCSCC1C
InChIInChI=1S/C10H19NS/c1-8-5-10(8)6-11-3-4-12-7-9(11)2/h8-10H,3-7H2,1-2H3
InChIKeyMVBCEVGYPXDFSX-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.08
Rot. Bonds2

About 3-methyl-4-[(2-methylcyclopropyl)methyl]thiomorpholine

3-methyl-4-[(2-methylcyclopropyl)methyl]thiomorpholine (PubChem CID 131176317) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 3-methyl-4-[(2-methylcyclopropyl)methyl]thiomorpholine.

Molecular Properties

Compound Name3-methyl-4-[(2-methylcyclopropyl)methyl]thiomorpholine
PubChem CID131176317
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name3-methyl-4-[(2-methylcyclopropyl)methyl]thiomorpholine
SMILESCC1CC1CN1CCSCC1C
InChIInChI=1S/C10H19NS/c1-8-5-10(8)6-11-3-4-12-7-9(11)2/h8-10H,3-7H2,1-2H3
InChIKeyMVBCEVGYPXDFSX-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-[[(2S)-oxiran-2-yl]methyl]thiomorpholine
CID 126975144
2,4-dimethyl-1-[(2-methylcyclopropyl)methyl]piperidine
CID 130718623
2,2-dimethyl-6-[(3-methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol
CID 79848984
5-[(3-methylthiomorpholin-4-yl)methyl]pyrrolidin-3-ol
CID 66054789
2,2,5,5-tetramethyl-4-[(3-methylthiomorpholin-4-yl)methyl]oxolan-3-one
CID 79934477
1-[(3-methylthiomorpholin-4-yl)methyl]cyclobutan-1-amine
CID 81170046
N'-hydroxy-2-(3-methylthiomorpholin-4-yl)ethanimidamide
CID 77015831
4-(2-fluorobutyl)-3-methylthiomorpholine
CID 130684425
3,5-dimethyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine
CID 66381850
2-(3-methylthiomorpholin-4-yl)propan-1-ol
CID 126976001
2-methoxy-3-(3-methylthiomorpholin-4-yl)propan-1-amine
CID 106114859
2,2-dimethyl-4-(3-methylthiomorpholin-4-yl)butanethioamide
CID 65248640

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2-methylcyclopropyl)methyl]thiomorpholine?
The IUPAC name of 3-methyl-4-[(2-methylcyclopropyl)methyl]thiomorpholine (CID 131176317) is 3-methyl-4-[(2-methylcyclopropyl)methyl]thiomorpholine.
What is the SMILES notation for 3-methyl-4-[(2-methylcyclopropyl)methyl]thiomorpholine?
The canonical SMILES for 3-methyl-4-[(2-methylcyclopropyl)methyl]thiomorpholine is CC1CC1CN1CCSCC1C.
What is the InChIKey of 3-methyl-4-[(2-methylcyclopropyl)methyl]thiomorpholine?
The InChIKey is MVBCEVGYPXDFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-8-5-10(8)6-11-3-4-12-7-9(11)2/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-methyl-4-[(2-methylcyclopropyl)methyl]thiomorpholine?
3-methyl-4-[(2-methylcyclopropyl)methyl]thiomorpholine has a molecular weight of 185.34 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2-methylcyclopropyl)methyl]thiomorpholine is sourced from PubChem (CID 131176317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).