(3R)-N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]oxolane-3-sulfonamide

C15H24N2O3S — CID 97317377

IUPAC(3R)-N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]oxolane-3-sulfonamide
SMILESC[C@@H](Cc1ccc(N(C)C)cc1)NS(=O)(=O)[C@@H]1CCOC1
InChIInChI=1S/C15H24N2O3S/c1-12(16-21(18,19)15-8-9-20-11-15)10-13-4-6-14(7-5-13)17(2)3/h4-7,12,15-16H,8-11H2,1-3H3/t12-,15+/m0/s1
InChIKeyIZOGUZWJYPYFKF-SWLSCSKDSA-N
MW312.44 g/mol
LogP1.39
Rot. Bonds6

About (3R)-N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]oxolane-3-sulfonamide

(3R)-N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]oxolane-3-sulfonamide (PubChem CID 97317377) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is (3R)-N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]oxolane-3-sulfonamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]oxolane-3-sulfonamide
PubChem CID97317377
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name(3R)-N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]oxolane-3-sulfonamide
SMILESC[C@@H](Cc1ccc(N(C)C)cc1)NS(=O)(=O)[C@@H]1CCOC1
InChIInChI=1S/C15H24N2O3S/c1-12(16-21(18,19)15-8-9-20-11-15)10-13-4-6-14(7-5-13)17(2)3/h4-7,12,15-16H,8-11H2,1-3H3/t12-,15+/m0/s1
InChIKeyIZOGUZWJYPYFKF-SWLSCSKDSA-N
XLogP1.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-propan-2-yloxolane-3-sulfonamide
CID 97175132
N-[1-(4-tert-butylphenyl)-2-methylpropyl]oxolane-3-sulfonamide
CID 167774105
N-propan-2-yloxane-3-sulfonamide
CID 130684869
N-[1-(3-methylpiperidin-1-yl)propan-2-yl]oxolane-3-sulfonamide
CID 146090184
N-[1-(4-hydroxyphenyl)propan-2-yl]oxolane-3-carboxamide
CID 75384504
N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-sulfonamide
CID 62050109
N-(4-aminobutan-2-yl)oxane-4-sulfonamide
CID 62093127
(2S)-2-(oxan-4-ylsulfonylamino)-3-phenylpropanoic acid
CID 62048619
2-cyclopropyl-3-[4-(dimethylamino)phenyl]propanoic acid
CID 170903926
N-[1-(3,4-dimethoxy-2-methylphenyl)ethyl]oxolane-3-sulfonamide
CID 167940502
N,N-dimethyl-4-[1-[1-(oxolan-3-yl)ethylamino]ethyl]aniline
CID 115723946
2-(oxolan-3-ylsulfonyl)-3-phenylpropanoic acid
CID 63558168

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]oxolane-3-sulfonamide?
The IUPAC name of (3R)-N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]oxolane-3-sulfonamide (CID 97317377) is (3R)-N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]oxolane-3-sulfonamide.
What is the SMILES notation for (3R)-N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]oxolane-3-sulfonamide?
The canonical SMILES for (3R)-N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]oxolane-3-sulfonamide is C[C@@H](Cc1ccc(N(C)C)cc1)NS(=O)(=O)[C@@H]1CCOC1.
What is the InChIKey of (3R)-N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]oxolane-3-sulfonamide?
The InChIKey is IZOGUZWJYPYFKF-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12(16-21(18,19)15-8-9-20-11-15)10-13-4-6-14(7-5-13)17(2)3/h4-7,12,15-16H,8-11H2,1-3H3/t12-,15+/m0/s1.
What are the key properties of (3R)-N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]oxolane-3-sulfonamide?
(3R)-N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]oxolane-3-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]oxolane-3-sulfonamide is sourced from PubChem (CID 97317377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).