N-[3-(3-amino-2-hydroxycyclopentyl)oxyphenyl]methanesulfonamide

C12H18N2O4S — CID 19850227

IUPACN-[3-(3-amino-2-hydroxycyclopentyl)oxyphenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(OC2CCC(N)C2O)c1
InChIInChI=1S/C12H18N2O4S/c1-19(16,17)14-8-3-2-4-9(7-8)18-11-6-5-10(13)12(11)15/h2-4,7,10-12,14-15H,5-6,13H2,1H3
InChIKeyWBQSVJDJGKMWHD-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.29
Rot. Bonds4

About N-[3-(3-amino-2-hydroxycyclopentyl)oxyphenyl]methanesulfonamide

N-[3-(3-amino-2-hydroxycyclopentyl)oxyphenyl]methanesulfonamide (PubChem CID 19850227) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[3-(3-amino-2-hydroxycyclopentyl)oxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(3-amino-2-hydroxycyclopentyl)oxyphenyl]methanesulfonamide
PubChem CID19850227
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC NameN-[3-(3-amino-2-hydroxycyclopentyl)oxyphenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(OC2CCC(N)C2O)c1
InChIInChI=1S/C12H18N2O4S/c1-19(16,17)14-8-3-2-4-9(7-8)18-11-6-5-10(13)12(11)15/h2-4,7,10-12,14-15H,5-6,13H2,1H3
InChIKeyWBQSVJDJGKMWHD-UHFFFAOYSA-N
XLogP0.29
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(methanesulfonamido)phenyl] propanoate
CID 154228160
N-[3-(4-methoxyphenoxy)phenyl]methanesulfonamide
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CID 60749083
ethyl 2-[3-(methanesulfonamido)phenoxy]ethanimidate;hydrochloride
CID 69351950
N-[3-(cyclopentylamino)phenyl]methanesulfonamide
CID 28731342
methane;methanesulfonyl chloride;3-methoxyaniline;N-(3-methoxyphenyl)methanesulfonamide
CID 159081432
N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide
CID 33457615
2-(cyclopropylamino)-N-[3-(methanesulfonamido)phenyl]acetamide
CID 61274882
N'-hydroxy-3-(methanesulfonamido)benzenecarboximidamide
CID 23592571
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503
2-amino-5-phenoxy-N-phenylcyclopentane-1-carboxamide
CID 54116069
N-cyclohexyl-3-(methanesulfonamido)-N-methylbenzamide
CID 51274732

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-amino-2-hydroxycyclopentyl)oxyphenyl]methanesulfonamide?
The IUPAC name of N-[3-(3-amino-2-hydroxycyclopentyl)oxyphenyl]methanesulfonamide (CID 19850227) is N-[3-(3-amino-2-hydroxycyclopentyl)oxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(3-amino-2-hydroxycyclopentyl)oxyphenyl]methanesulfonamide?
The canonical SMILES for N-[3-(3-amino-2-hydroxycyclopentyl)oxyphenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(OC2CCC(N)C2O)c1.
What is the InChIKey of N-[3-(3-amino-2-hydroxycyclopentyl)oxyphenyl]methanesulfonamide?
The InChIKey is WBQSVJDJGKMWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-19(16,17)14-8-3-2-4-9(7-8)18-11-6-5-10(13)12(11)15/h2-4,7,10-12,14-15H,5-6,13H2,1H3.
What are the key properties of N-[3-(3-amino-2-hydroxycyclopentyl)oxyphenyl]methanesulfonamide?
N-[3-(3-amino-2-hydroxycyclopentyl)oxyphenyl]methanesulfonamide has a molecular weight of 286.35 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-amino-2-hydroxycyclopentyl)oxyphenyl]methanesulfonamide is sourced from PubChem (CID 19850227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).