(2S,3R)-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-2-propan-2-yloxolane-3-carboxamide

C18H32N2O5S — CID 129347354

IUPAC(2S,3R)-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-2-propan-2-yloxolane-3-carboxamide
SMILESCC(C)[C@@H]1OCC[C@H]1C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1
InChIInChI=1S/C18H32N2O5S/c1-13(2)17-16(7-12-25-17)18(21)19-14-3-8-20(9-4-14)26(22,23)15-5-10-24-11-6-15/h13-17H,3-12H2,1-2H3,(H,19,21)/t16-,17+/m1/s1
InChIKeyKNEWVQUWUVUDLW-SJORKVTESA-N
MW388.53 g/mol
LogP1.14
Rot. Bonds5

About (2S,3R)-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-2-propan-2-yloxolane-3-carboxamide

(2S,3R)-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-2-propan-2-yloxolane-3-carboxamide (PubChem CID 129347354) has the molecular formula C18H32N2O5S and a molecular weight of 388.53 g/mol. Its IUPAC name is (2S,3R)-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-2-propan-2-yloxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-2-propan-2-yloxolane-3-carboxamide
PubChem CID129347354
Molecular FormulaC18H32N2O5S
Molecular Weight388.53 g/mol
Exact Mass388.20
IUPAC Name(2S,3R)-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-2-propan-2-yloxolane-3-carboxamide
SMILESCC(C)[C@@H]1OCC[C@H]1C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1
InChIInChI=1S/C18H32N2O5S/c1-13(2)17-16(7-12-25-17)18(21)19-14-3-8-20(9-4-14)26(22,23)15-5-10-24-11-6-15/h13-17H,3-12H2,1-2H3,(H,19,21)/t16-,17+/m1/s1
InChIKeyKNEWVQUWUVUDLW-SJORKVTESA-N
XLogP1.14
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,3R)-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-2-propan-2-yloxolane-3-carboxamide with MolForge

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Related Compounds

4-[(1-cyclopropylsulfonylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674300
4-chloro-1-(oxan-4-ylsulfonyl)piperidine
CID 63396412
1-[(2-methyl-3-pyridinyl)methyl]-3-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]urea
CID 132972772
N-[(2S,3R)-3-methylhex-5-en-2-yl]-1-(oxan-4-ylsulfonyl)piperidin-4-amine
CID 97101499
N-[(2S,3S)-3-methylhex-5-en-2-yl]-1-(oxan-4-ylsulfonyl)piperidin-4-amine
CID 97101498
1-ethyl-3-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-1-pyrrolidin-3-ylurea
CID 167935622
(4-methylsulfonyl-1,4-diazepan-1-yl)-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanone
CID 124890709
2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)pentanamide;hydrochloride
CID 119341231
N-(1-cyclopropylsulfonylpiperidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119341222
N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-ylsulfonyl)piperidin-4-amine
CID 167752932
2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
CID 120669080
2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]sulfonylpropanoic acid
CID 61458277

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-2-propan-2-yloxolane-3-carboxamide?
The IUPAC name of (2S,3R)-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-2-propan-2-yloxolane-3-carboxamide (CID 129347354) is (2S,3R)-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-2-propan-2-yloxolane-3-carboxamide.
What is the SMILES notation for (2S,3R)-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-2-propan-2-yloxolane-3-carboxamide?
The canonical SMILES for (2S,3R)-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-2-propan-2-yloxolane-3-carboxamide is CC(C)[C@@H]1OCC[C@H]1C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1.
What is the InChIKey of (2S,3R)-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-2-propan-2-yloxolane-3-carboxamide?
The InChIKey is KNEWVQUWUVUDLW-SJORKVTESA-N. The full InChI is InChI=1S/C18H32N2O5S/c1-13(2)17-16(7-12-25-17)18(21)19-14-3-8-20(9-4-14)26(22,23)15-5-10-24-11-6-15/h13-17H,3-12H2,1-2H3,(H,19,21)/t16-,17+/m1/s1.
What are the key properties of (2S,3R)-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-2-propan-2-yloxolane-3-carboxamide?
(2S,3R)-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-2-propan-2-yloxolane-3-carboxamide has a molecular weight of 388.53 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-2-propan-2-yloxolane-3-carboxamide is sourced from PubChem (CID 129347354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).