1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine

C16H24N2O3S — CID 95347414

IUPAC1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine
SMILESCS(=O)(=O)c1ccc(CNC[C@H]2CN(C3CC3)CCO2)cc1
InChIInChI=1S/C16H24N2O3S/c1-22(19,20)16-6-2-13(3-7-16)10-17-11-15-12-18(8-9-21-15)14-4-5-14/h2-3,6-7,14-15,17H,4-5,8-12H2,1H3/t15-/m0/s1
InChIKeyQCSNOUYDRDFPFU-HNNXBMFYSA-N
MW324.45 g/mol
LogP1.04
Rot. Bonds6

About 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine

1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine (PubChem CID 95347414) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine
PubChem CID95347414
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine
SMILESCS(=O)(=O)c1ccc(CNC[C@H]2CN(C3CC3)CCO2)cc1
InChIInChI=1S/C16H24N2O3S/c1-22(19,20)16-6-2-13(3-7-16)10-17-11-15-12-18(8-9-21-15)14-4-5-14/h2-3,6-7,14-15,17H,4-5,8-12H2,1H3/t15-/m0/s1
InChIKeyQCSNOUYDRDFPFU-HNNXBMFYSA-N
XLogP1.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-cyclopropylmorpholin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 119124636
1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
CID 95338826
N-[(3-bromophenyl)methyl]-1-(4-cyclopropylmorpholin-2-yl)methanamine
CID 119124635
1-(4-cyclopropylmorpholin-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
CID 119124637
1-(4-cyclopropylmorpholin-2-yl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 119124747
1-(4-cyclopropylmorpholin-2-yl)-N-(furan-2-ylmethyl)methanamine
CID 119124707
3-[[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]methyl]benzonitrile
CID 95322212
1-(4-cyclopropylmorpholin-2-yl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]methanamine
CID 119124665
1-(5,5-dimethyloxolan-2-yl)-N-[(4-methylsulfonylphenyl)methyl]methanamine
CID 116521375
1-(4-cyclopropylmorpholin-2-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]methanamine
CID 119124609
1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
CID 95321562
1-cyclopropyl-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]methanamine
CID 95979352

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine?
The IUPAC name of 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine (CID 95347414) is 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine.
What is the SMILES notation for 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine?
The canonical SMILES for 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine is CS(=O)(=O)c1ccc(CNC[C@H]2CN(C3CC3)CCO2)cc1.
What is the InChIKey of 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine?
The InChIKey is QCSNOUYDRDFPFU-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-22(19,20)16-6-2-13(3-7-16)10-17-11-15-12-18(8-9-21-15)14-4-5-14/h2-3,6-7,14-15,17H,4-5,8-12H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine?
1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine has a molecular weight of 324.45 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine is sourced from PubChem (CID 95347414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).