1-(cyclopentylamino)-3-(3-methyl-4-methylsulfonylphenoxy)propan-2-ol

C16H25NO4S — CID 22766012

IUPAC1-(cyclopentylamino)-3-(3-methyl-4-methylsulfonylphenoxy)propan-2-ol
SMILESCc1cc(OCC(O)CNC2CCCC2)ccc1S(C)(=O)=O
InChIInChI=1S/C16H25NO4S/c1-12-9-15(7-8-16(12)22(2,19)20)21-11-14(18)10-17-13-5-3-4-6-13/h7-9,13-14,17-18H,3-6,10-11H2,1-2H3
InChIKeyPDLVGCLUQSFHGP-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.67
Rot. Bonds7

About 1-(cyclopentylamino)-3-(3-methyl-4-methylsulfonylphenoxy)propan-2-ol

1-(cyclopentylamino)-3-(3-methyl-4-methylsulfonylphenoxy)propan-2-ol (PubChem CID 22766012) has the molecular formula C16H25NO4S and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-(cyclopentylamino)-3-(3-methyl-4-methylsulfonylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopentylamino)-3-(3-methyl-4-methylsulfonylphenoxy)propan-2-ol
PubChem CID22766012
Molecular FormulaC16H25NO4S
Molecular Weight327.45 g/mol
Exact Mass327.15
IUPAC Name1-(cyclopentylamino)-3-(3-methyl-4-methylsulfonylphenoxy)propan-2-ol
SMILESCc1cc(OCC(O)CNC2CCCC2)ccc1S(C)(=O)=O
InChIInChI=1S/C16H25NO4S/c1-12-9-15(7-8-16(12)22(2,19)20)21-11-14(18)10-17-13-5-3-4-6-13/h7-9,13-14,17-18H,3-6,10-11H2,1-2H3
InChIKeyPDLVGCLUQSFHGP-UHFFFAOYSA-N
XLogP1.67
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 2967956
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
1-[2-(3,4-dimethylphenoxy)ethylamino]-3-(3-methyl-4-methylsulfonylphenoxy)propan-2-ol
CID 22766044
1-(4-chloro-3,5-dimethylphenoxy)-3-(cyclopentylamino)propan-2-ol
CID 18838026
1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol
CID 111104815
1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 18838017
1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride
CID 2966544
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
1-[4-[(2R)-3-(cycloheptylamino)-2-hydroxypropoxy]phenyl]propan-1-one
CID 2102296
4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile
CID 93381192
1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol
CID 55066785
ethyl 6-[4-[[2-hydroxy-3-(4-hydroxy-3-methylsulfonylphenoxy)propyl]amino]piperidin-1-yl]pyridine-3-carboxylate
CID 18768664

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-3-(3-methyl-4-methylsulfonylphenoxy)propan-2-ol?
The IUPAC name of 1-(cyclopentylamino)-3-(3-methyl-4-methylsulfonylphenoxy)propan-2-ol (CID 22766012) is 1-(cyclopentylamino)-3-(3-methyl-4-methylsulfonylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(cyclopentylamino)-3-(3-methyl-4-methylsulfonylphenoxy)propan-2-ol?
The canonical SMILES for 1-(cyclopentylamino)-3-(3-methyl-4-methylsulfonylphenoxy)propan-2-ol is Cc1cc(OCC(O)CNC2CCCC2)ccc1S(C)(=O)=O.
What is the InChIKey of 1-(cyclopentylamino)-3-(3-methyl-4-methylsulfonylphenoxy)propan-2-ol?
The InChIKey is PDLVGCLUQSFHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4S/c1-12-9-15(7-8-16(12)22(2,19)20)21-11-14(18)10-17-13-5-3-4-6-13/h7-9,13-14,17-18H,3-6,10-11H2,1-2H3.
What are the key properties of 1-(cyclopentylamino)-3-(3-methyl-4-methylsulfonylphenoxy)propan-2-ol?
1-(cyclopentylamino)-3-(3-methyl-4-methylsulfonylphenoxy)propan-2-ol has a molecular weight of 327.45 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-3-(3-methyl-4-methylsulfonylphenoxy)propan-2-ol is sourced from PubChem (CID 22766012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).