(2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(cyclopropylamino)propan-2-ol

C16H23ClN2O5S — CID 7440472

IUPAC(2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(cyclopropylamino)propan-2-ol
SMILESO=S(=O)(c1ccc(OC[C@H](O)CNC2CC2)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C16H23ClN2O5S/c17-15-9-14(25(21,22)19-5-7-23-8-6-19)3-4-16(15)24-11-13(20)10-18-12-1-2-12/h3-4,9,12-13,18,20H,1-2,5-8,10-11H2/t13-/m1/s1
InChIKeyBTXDPRHXFSGNSR-CYBMUJFWSA-N
MW390.89 g/mol
LogP0.85
Rot. Bonds8

About (2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(cyclopropylamino)propan-2-ol

(2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(cyclopropylamino)propan-2-ol (PubChem CID 7440472) has the molecular formula C16H23ClN2O5S and a molecular weight of 390.89 g/mol. Its IUPAC name is (2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(cyclopropylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(cyclopropylamino)propan-2-ol
PubChem CID7440472
Molecular FormulaC16H23ClN2O5S
Molecular Weight390.89 g/mol
Exact Mass390.10
IUPAC Name(2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(cyclopropylamino)propan-2-ol
SMILESO=S(=O)(c1ccc(OC[C@H](O)CNC2CC2)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C16H23ClN2O5S/c17-15-9-14(25(21,22)19-5-7-23-8-6-19)3-4-16(15)24-11-13(20)10-18-12-1-2-12/h3-4,9,12-13,18,20H,1-2,5-8,10-11H2/t13-/m1/s1
InChIKeyBTXDPRHXFSGNSR-CYBMUJFWSA-N
XLogP0.85
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-adamantylamino)-3-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)propan-2-ol
CID 3409221
(2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol
CID 2409096
(2S)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 98387923
(2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 98387924
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetate
CID 7457826
4-[3-chloro-4-[[(2S)-oxiran-2-yl]methoxy]phenyl]sulfonylmorpholine
CID 7111818
1-(cyclobutylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62413983
4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine
CID 110758270
N-cyclopropyl-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6462487
1-(2,3-dichlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 111466535
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 43873731
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone
CID 2490622

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(cyclopropylamino)propan-2-ol?
The IUPAC name of (2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(cyclopropylamino)propan-2-ol (CID 7440472) is (2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(cyclopropylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(cyclopropylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(cyclopropylamino)propan-2-ol is O=S(=O)(c1ccc(OC[C@H](O)CNC2CC2)c(Cl)c1)N1CCOCC1.
What is the InChIKey of (2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(cyclopropylamino)propan-2-ol?
The InChIKey is BTXDPRHXFSGNSR-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23ClN2O5S/c17-15-9-14(25(21,22)19-5-7-23-8-6-19)3-4-16(15)24-11-13(20)10-18-12-1-2-12/h3-4,9,12-13,18,20H,1-2,5-8,10-11H2/t13-/m1/s1.
What are the key properties of (2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(cyclopropylamino)propan-2-ol?
(2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(cyclopropylamino)propan-2-ol has a molecular weight of 390.89 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(cyclopropylamino)propan-2-ol is sourced from PubChem (CID 7440472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).