[1-(3-methylsulfonylthiomorpholin-4-yl)cyclopropyl]methanamine

C9H18N2O2S2 — CID 106661306

IUPAC[1-(3-methylsulfonylthiomorpholin-4-yl)cyclopropyl]methanamine
SMILESCS(=O)(=O)C1CSCCN1C1(CN)CC1
InChIInChI=1S/C9H18N2O2S2/c1-15(12,13)8-6-14-5-4-11(8)9(7-10)2-3-9/h8H,2-7,10H2,1H3
InChIKeyYPTIFAPYYXZMLA-UHFFFAOYSA-N
MW250.39 g/mol
LogP-0.10
Rot. Bonds3

About [1-(3-methylsulfonylthiomorpholin-4-yl)cyclopropyl]methanamine

[1-(3-methylsulfonylthiomorpholin-4-yl)cyclopropyl]methanamine (PubChem CID 106661306) has the molecular formula C9H18N2O2S2 and a molecular weight of 250.39 g/mol. Its IUPAC name is [1-(3-methylsulfonylthiomorpholin-4-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3-methylsulfonylthiomorpholin-4-yl)cyclopropyl]methanamine
PubChem CID106661306
Molecular FormulaC9H18N2O2S2
Molecular Weight250.39 g/mol
Exact Mass250.08
IUPAC Name[1-(3-methylsulfonylthiomorpholin-4-yl)cyclopropyl]methanamine
SMILESCS(=O)(=O)C1CSCCN1C1(CN)CC1
InChIInChI=1S/C9H18N2O2S2/c1-15(12,13)8-6-14-5-4-11(8)9(7-10)2-3-9/h8H,2-7,10H2,1H3
InChIKeyYPTIFAPYYXZMLA-UHFFFAOYSA-N
XLogP-0.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-methyl-4-(3-methylsulfonylthiomorpholin-4-yl)piperidin-4-yl]methanamine
CID 66384302
[4-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)cycloheptyl]methanamine
CID 66384310
[5,5-dimethyl-3-(3-methylsulfonylthiomorpholin-4-yl)thian-3-yl]methanamine
CID 79957961
[4,4-dimethyl-3-(3-methylsulfonylthiomorpholin-4-yl)thian-3-yl]methanamine
CID 79948822
[1-(3-ethylsulfonylthiomorpholin-4-yl)-4-methylcycloheptyl]methanamine
CID 66383120
[2,4,4-trimethyl-1-(3-methylsulfonylthiomorpholin-4-yl)cyclopentyl]methanamine
CID 106663210
4-methyl-2-(3-methylsulfonylthiomorpholin-4-yl)pentan-1-amine
CID 66382570
[1-(aminomethyl)cyclohexyl]-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 115437991
[1-(aminomethyl)cycloheptyl]-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 115444203
2-[1-(aminomethyl)cyclobutyl]-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone
CID 81168313
2-[1-(aminomethyl)cyclohexyl]-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone
CID 104678381
[3-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylthian-3-yl]methanamine
CID 79951740

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylsulfonylthiomorpholin-4-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(3-methylsulfonylthiomorpholin-4-yl)cyclopropyl]methanamine (CID 106661306) is [1-(3-methylsulfonylthiomorpholin-4-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3-methylsulfonylthiomorpholin-4-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3-methylsulfonylthiomorpholin-4-yl)cyclopropyl]methanamine is CS(=O)(=O)C1CSCCN1C1(CN)CC1.
What is the InChIKey of [1-(3-methylsulfonylthiomorpholin-4-yl)cyclopropyl]methanamine?
The InChIKey is YPTIFAPYYXZMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S2/c1-15(12,13)8-6-14-5-4-11(8)9(7-10)2-3-9/h8H,2-7,10H2,1H3.
What are the key properties of [1-(3-methylsulfonylthiomorpholin-4-yl)cyclopropyl]methanamine?
[1-(3-methylsulfonylthiomorpholin-4-yl)cyclopropyl]methanamine has a molecular weight of 250.39 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylsulfonylthiomorpholin-4-yl)cyclopropyl]methanamine is sourced from PubChem (CID 106661306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).