3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine

C13H24N2O2S2 — CID 66382103

IUPAC3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCS(=O)(=O)C1CSCCN1CC1C2CCC(C2)C1N
InChIInChI=1S/C13H24N2O2S2/c1-19(16,17)12-8-18-5-4-15(12)7-11-9-2-3-10(6-9)13(11)14/h9-13H,2-8,14H2,1H3
InChIKeySIPMMFVNGHCCQP-UHFFFAOYSA-N
MW304.48 g/mol
LogP0.78
Rot. Bonds3

About 3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine

3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 66382103) has the molecular formula C13H24N2O2S2 and a molecular weight of 304.48 g/mol. Its IUPAC name is 3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID66382103
Molecular FormulaC13H24N2O2S2
Molecular Weight304.48 g/mol
Exact Mass304.13
IUPAC Name3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCS(=O)(=O)C1CSCCN1CC1C2CCC(C2)C1N
InChIInChI=1S/C13H24N2O2S2/c1-19(16,17)12-8-18-5-4-15(12)7-11-9-2-3-10(6-9)13(11)14/h9-13H,2-8,14H2,1H3
InChIKeySIPMMFVNGHCCQP-UHFFFAOYSA-N
XLogP0.78
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine
CID 66381850
4-[(2-methylpyrrolidin-3-yl)methyl]-3-methylsulfonylthiomorpholine
CID 79384352
3-methylsulfonyl-4-(thiomorpholin-3-ylmethyl)thiomorpholine
CID 82917213
4-ethyl-N-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine
CID 66383602
3-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-2-amine
CID 66381906
4-(3-bromopropyl)-3-methylsulfonylthiomorpholine
CID 66383009
methyl 2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanoate
CID 66384715
2-(3-methylsulfonylthiomorpholin-4-yl)ethanimidamide
CID 66382204
2-(3-methylsulfonylthiomorpholin-4-yl)-1-phenylethanamine
CID 66383750
[1-(3-methylsulfonylthiomorpholin-4-yl)cyclopropyl]methanamine
CID 106661306
4-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methylsulfonylthiomorpholine
CID 80566784
(2S)-1-(3-methylsulfonylthiomorpholin-4-yl)hexan-2-amine
CID 112736888

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine (CID 66382103) is 3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine is CS(=O)(=O)C1CSCCN1CC1C2CCC(C2)C1N.
What is the InChIKey of 3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is SIPMMFVNGHCCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S2/c1-19(16,17)12-8-18-5-4-15(12)7-11-9-2-3-10(6-9)13(11)14/h9-13H,2-8,14H2,1H3.
What are the key properties of 3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 304.48 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 66382103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).