N-(oxan-4-yl)-3-phenyl-2-sulfanylpropanamide

C14H19NO2S — CID 107023317

IUPACN-(oxan-4-yl)-3-phenyl-2-sulfanylpropanamide
SMILESO=C(NC1CCOCC1)C(S)Cc1ccccc1
InChIInChI=1S/C14H19NO2S/c16-14(15-12-6-8-17-9-7-12)13(18)10-11-4-2-1-3-5-11/h1-5,12-13,18H,6-10H2,(H,15,16)
InChIKeyXIKAJUUGWUZSGU-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.82
Rot. Bonds4

About N-(oxan-4-yl)-3-phenyl-2-sulfanylpropanamide

N-(oxan-4-yl)-3-phenyl-2-sulfanylpropanamide (PubChem CID 107023317) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(oxan-4-yl)-3-phenyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-3-phenyl-2-sulfanylpropanamide
PubChem CID107023317
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-(oxan-4-yl)-3-phenyl-2-sulfanylpropanamide
SMILESO=C(NC1CCOCC1)C(S)Cc1ccccc1
InChIInChI=1S/C14H19NO2S/c16-14(15-12-6-8-17-9-7-12)13(18)10-11-4-2-1-3-5-11/h1-5,12-13,18H,6-10H2,(H,15,16)
InChIKeyXIKAJUUGWUZSGU-UHFFFAOYSA-N
XLogP1.82
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethylcyclohexyl)-3-phenyl-2-sulfanylpropanamide
CID 107030989
1-(2-methyl-3-phenylpropyl)-3-(oxan-4-yl)urea
CID 110608624
N-(cyclopropylmethyl)-3-phenyl-2-sulfanylpropanamide
CID 107019674
3-phenyl-N-(2-phenylcyclopropyl)-2-sulfanylpropanamide
CID 107027061
3-phenyl-N-(2-propan-2-ylcyclohexyl)-2-sulfanylpropanamide
CID 107033557
N-methyl-N-(oxan-4-ylmethyl)-3-phenyl-2-sulfanylpropanamide
CID 107030011
phenyl N-(oxan-4-yl)carbamate
CID 61067434
1-(oxan-4-yl)-3-(3-phenyl-2-piperidin-1-ylpropyl)urea
CID 110611113
N-(1-methyl-2,6-dioxopiperidin-3-yl)-3-phenyl-2-sulfanylpropanamide
CID 107031624
N-(1,3-dimethylpiperidin-4-yl)-3-phenyl-2-sulfanylpropanamide
CID 107036327
N-(1,3-dihydroxypropan-2-yl)-3-phenyl-2-sulfanylpropanamide
CID 107031176
benzyl N-[(2S)-1-(oxan-4-ylamino)-1-oxobutan-2-yl]carbamate
CID 118993050

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-3-phenyl-2-sulfanylpropanamide?
The IUPAC name of N-(oxan-4-yl)-3-phenyl-2-sulfanylpropanamide (CID 107023317) is N-(oxan-4-yl)-3-phenyl-2-sulfanylpropanamide.
What is the SMILES notation for N-(oxan-4-yl)-3-phenyl-2-sulfanylpropanamide?
The canonical SMILES for N-(oxan-4-yl)-3-phenyl-2-sulfanylpropanamide is O=C(NC1CCOCC1)C(S)Cc1ccccc1.
What is the InChIKey of N-(oxan-4-yl)-3-phenyl-2-sulfanylpropanamide?
The InChIKey is XIKAJUUGWUZSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-14(15-12-6-8-17-9-7-12)13(18)10-11-4-2-1-3-5-11/h1-5,12-13,18H,6-10H2,(H,15,16).
What are the key properties of N-(oxan-4-yl)-3-phenyl-2-sulfanylpropanamide?
N-(oxan-4-yl)-3-phenyl-2-sulfanylpropanamide has a molecular weight of 265.38 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-3-phenyl-2-sulfanylpropanamide is sourced from PubChem (CID 107023317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).