(2R)-2-(N-methyl-4-pyrrolidin-1-ylsulfonylanilino)propan-1-ol

C14H22N2O3S — CID 154781272

IUPAC(2R)-2-(N-methyl-4-pyrrolidin-1-ylsulfonylanilino)propan-1-ol
SMILESC[C@H](CO)N(C)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-12(11-17)15(2)13-5-7-14(8-6-13)20(18,19)16-9-3-4-10-16/h5-8,12,17H,3-4,9-11H2,1-2H3/t12-/m1/s1
InChIKeyLMNSFWKREYOFFH-GFCCVEGCSA-N
MW298.41 g/mol
LogP1.29
Rot. Bonds5

About (2R)-2-(N-methyl-4-pyrrolidin-1-ylsulfonylanilino)propan-1-ol

(2R)-2-(N-methyl-4-pyrrolidin-1-ylsulfonylanilino)propan-1-ol (PubChem CID 154781272) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is (2R)-2-(N-methyl-4-pyrrolidin-1-ylsulfonylanilino)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-(N-methyl-4-pyrrolidin-1-ylsulfonylanilino)propan-1-ol
PubChem CID154781272
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name(2R)-2-(N-methyl-4-pyrrolidin-1-ylsulfonylanilino)propan-1-ol
SMILESC[C@H](CO)N(C)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-12(11-17)15(2)13-5-7-14(8-6-13)20(18,19)16-9-3-4-10-16/h5-8,12,17H,3-4,9-11H2,1-2H3/t12-/m1/s1
InChIKeyLMNSFWKREYOFFH-GFCCVEGCSA-N
XLogP1.29
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-butan-2-ylphenyl)sulfonylazepane
CID 19682627
1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
CID 778269
N-(1-hydroxypropan-2-yl)-N-methyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 115869488
N,N-dimethyl-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 859979
N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26532430
1-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazin-1-ium
CID 7768351
N-[2-(diethylamino)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 46432914
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
4-(azepan-1-ylsulfonyl)-N-methylaniline
CID 43154646
4-(azocan-1-ylsulfonyl)-N-methylaniline
CID 43332108
N-[2-(dimethylamino)-3-methylbutyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 24650096
N-(2-methylpropyl)-4-piperidin-1-ylsulfonylaniline
CID 735445

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(N-methyl-4-pyrrolidin-1-ylsulfonylanilino)propan-1-ol?
The IUPAC name of (2R)-2-(N-methyl-4-pyrrolidin-1-ylsulfonylanilino)propan-1-ol (CID 154781272) is (2R)-2-(N-methyl-4-pyrrolidin-1-ylsulfonylanilino)propan-1-ol.
What is the SMILES notation for (2R)-2-(N-methyl-4-pyrrolidin-1-ylsulfonylanilino)propan-1-ol?
The canonical SMILES for (2R)-2-(N-methyl-4-pyrrolidin-1-ylsulfonylanilino)propan-1-ol is C[C@H](CO)N(C)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of (2R)-2-(N-methyl-4-pyrrolidin-1-ylsulfonylanilino)propan-1-ol?
The InChIKey is LMNSFWKREYOFFH-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-12(11-17)15(2)13-5-7-14(8-6-13)20(18,19)16-9-3-4-10-16/h5-8,12,17H,3-4,9-11H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-2-(N-methyl-4-pyrrolidin-1-ylsulfonylanilino)propan-1-ol?
(2R)-2-(N-methyl-4-pyrrolidin-1-ylsulfonylanilino)propan-1-ol has a molecular weight of 298.41 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(N-methyl-4-pyrrolidin-1-ylsulfonylanilino)propan-1-ol is sourced from PubChem (CID 154781272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).