(2S)-2-cycloheptyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide

C14H22N2O5S — CID 99591003

IUPAC(2S)-2-cycloheptyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide
SMILESC[C@H](OC1CCCCCC1)C(=O)NS(=O)(=O)Cc1ccon1
InChIInChI=1S/C14H22N2O5S/c1-11(21-13-6-4-2-3-5-7-13)14(17)16-22(18,19)10-12-8-9-20-15-12/h8-9,11,13H,2-7,10H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyHSVRQMHPZCCUAU-NSHDSACASA-N
MW330.41 g/mol
LogP1.75
Rot. Bonds6

About (2S)-2-cycloheptyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide

(2S)-2-cycloheptyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide (PubChem CID 99591003) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is (2S)-2-cycloheptyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide.

Molecular Properties

Compound Name(2S)-2-cycloheptyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide
PubChem CID99591003
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name(2S)-2-cycloheptyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide
SMILESC[C@H](OC1CCCCCC1)C(=O)NS(=O)(=O)Cc1ccon1
InChIInChI=1S/C14H22N2O5S/c1-11(21-13-6-4-2-3-5-7-13)14(17)16-22(18,19)10-12-8-9-20-15-12/h8-9,11,13H,2-7,10H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyHSVRQMHPZCCUAU-NSHDSACASA-N
XLogP1.75
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cycloheptyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide?
The IUPAC name of (2S)-2-cycloheptyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide (CID 99591003) is (2S)-2-cycloheptyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide.
What is the SMILES notation for (2S)-2-cycloheptyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide?
The canonical SMILES for (2S)-2-cycloheptyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide is C[C@H](OC1CCCCCC1)C(=O)NS(=O)(=O)Cc1ccon1.
What is the InChIKey of (2S)-2-cycloheptyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide?
The InChIKey is HSVRQMHPZCCUAU-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O5S/c1-11(21-13-6-4-2-3-5-7-13)14(17)16-22(18,19)10-12-8-9-20-15-12/h8-9,11,13H,2-7,10H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-2-cycloheptyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide?
(2S)-2-cycloheptyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide has a molecular weight of 330.41 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cycloheptyloxy-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide is sourced from PubChem (CID 99591003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).