(4-methylthiomorpholin-3-yl)-(3-methylthiophen-2-yl)methanamine

C11H18N2S2 — CID 103595870

IUPAC(4-methylthiomorpholin-3-yl)-(3-methylthiophen-2-yl)methanamine
SMILESCc1ccsc1C(N)C1CSCCN1C
InChIInChI=1S/C11H18N2S2/c1-8-3-5-15-11(8)10(12)9-7-14-6-4-13(9)2/h3,5,9-10H,4,6-7,12H2,1-2H3
InChIKeyKSOSOYHPTOPUBS-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.10
Rot. Bonds2

About (4-methylthiomorpholin-3-yl)-(3-methylthiophen-2-yl)methanamine

(4-methylthiomorpholin-3-yl)-(3-methylthiophen-2-yl)methanamine (PubChem CID 103595870) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is (4-methylthiomorpholin-3-yl)-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-methylthiomorpholin-3-yl)-(3-methylthiophen-2-yl)methanamine
PubChem CID103595870
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC Name(4-methylthiomorpholin-3-yl)-(3-methylthiophen-2-yl)methanamine
SMILESCc1ccsc1C(N)C1CSCCN1C
InChIInChI=1S/C11H18N2S2/c1-8-3-5-15-11(8)10(12)9-7-14-6-4-13(9)2/h3,5,9-10H,4,6-7,12H2,1-2H3
InChIKeyKSOSOYHPTOPUBS-UHFFFAOYSA-N
XLogP2.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorothiophen-2-yl)-(4-methylthiomorpholin-3-yl)methanamine
CID 107360379
(2,4-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106444597
(4-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106444518
(4-ethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106444378
[(4-methylthiomorpholin-3-yl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 106446271
(2-methoxy-4,6-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106681022
(4-methylthiomorpholin-3-yl)-naphthalen-1-ylmethanamine
CID 106444468
2,3-dihydro-1-benzothiophen-3-yl-(3-methylthiophen-2-yl)methanamine
CID 105166501
[2-(3-bromothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446358
1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 106444379
(3,4-diethoxyphenyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106444388
[(1,4-dimethyl-1,4-diazepan-2-yl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105261282

Frequently Asked Questions

What is the IUPAC name of (4-methylthiomorpholin-3-yl)-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of (4-methylthiomorpholin-3-yl)-(3-methylthiophen-2-yl)methanamine (CID 103595870) is (4-methylthiomorpholin-3-yl)-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (4-methylthiomorpholin-3-yl)-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for (4-methylthiomorpholin-3-yl)-(3-methylthiophen-2-yl)methanamine is Cc1ccsc1C(N)C1CSCCN1C.
What is the InChIKey of (4-methylthiomorpholin-3-yl)-(3-methylthiophen-2-yl)methanamine?
The InChIKey is KSOSOYHPTOPUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-8-3-5-15-11(8)10(12)9-7-14-6-4-13(9)2/h3,5,9-10H,4,6-7,12H2,1-2H3.
What are the key properties of (4-methylthiomorpholin-3-yl)-(3-methylthiophen-2-yl)methanamine?
(4-methylthiomorpholin-3-yl)-(3-methylthiophen-2-yl)methanamine has a molecular weight of 242.41 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiomorpholin-3-yl)-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 103595870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).