N-[[5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine

C13H21N3O3S2 — CID 66384572

IUPACN-[[5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESCS(=O)(=O)C1CSCCN1Cc1cc(CNC2CC2)no1
InChIInChI=1S/C13H21N3O3S2/c1-21(17,18)13-9-20-5-4-16(13)8-12-6-11(15-19-12)7-14-10-2-3-10/h6,10,13-14H,2-5,7-9H2,1H3
InChIKeySGVHOUZDHUURPY-UHFFFAOYSA-N
MW331.46 g/mol
LogP0.85
Rot. Bonds6

About N-[[5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine

N-[[5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine (PubChem CID 66384572) has the molecular formula C13H21N3O3S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[[5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
PubChem CID66384572
Molecular FormulaC13H21N3O3S2
Molecular Weight331.46 g/mol
Exact Mass331.10
IUPAC NameN-[[5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESCS(=O)(=O)C1CSCCN1Cc1cc(CNC2CC2)no1
InChIInChI=1S/C13H21N3O3S2/c1-21(17,18)13-9-20-5-4-16(13)8-12-6-11(15-19-12)7-14-10-2-3-10/h6,10,13-14H,2-5,7-9H2,1H3
InChIKeySGVHOUZDHUURPY-UHFFFAOYSA-N
XLogP0.85
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 66384396
N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55070248
N-[[5-[(2,3-dimethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62413684
N-[[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62446726
N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55070405
N-[[3-(3-methylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105074134
3-methyl-5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]furan-2-carboxylic acid
CID 66384335
N-methyl-6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine
CID 79230716
N-[[5-[(3,3-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55072238
[5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyrazin-2-yl]hydrazine
CID 103061077
N-[[2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 66384379
N-[[5-[(2-methylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62438242

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine (CID 66384572) is N-[[5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine is CS(=O)(=O)C1CSCCN1Cc1cc(CNC2CC2)no1.
What is the InChIKey of N-[[5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The InChIKey is SGVHOUZDHUURPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S2/c1-21(17,18)13-9-20-5-4-16(13)8-12-6-11(15-19-12)7-14-10-2-3-10/h6,10,13-14H,2-5,7-9H2,1H3.
What are the key properties of N-[[5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
N-[[5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine has a molecular weight of 331.46 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66384572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).