1-(1-methylsulfonylpiperidin-4-yl)-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea

C13H25N3O4S — CID 38311387

IUPAC1-(1-methylsulfonylpiperidin-4-yl)-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
SMILESC[C@@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@H]1CCCO1
InChIInChI=1S/C13H25N3O4S/c1-10(12-4-3-9-20-12)14-13(17)15-11-5-7-16(8-6-11)21(2,18)19/h10-12H,3-9H2,1-2H3,(H2,14,15,17)/t10-,12-/m1/s1
InChIKeyRTPOAHDGPXDURK-ZYHUDNBSSA-N
MW319.43 g/mol
LogP0.28
Rot. Bonds4

About 1-(1-methylsulfonylpiperidin-4-yl)-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea

1-(1-methylsulfonylpiperidin-4-yl)-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea (PubChem CID 38311387) has the molecular formula C13H25N3O4S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-(1-methylsulfonylpiperidin-4-yl)-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-(1-methylsulfonylpiperidin-4-yl)-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
PubChem CID38311387
Molecular FormulaC13H25N3O4S
Molecular Weight319.43 g/mol
Exact Mass319.16
IUPAC Name1-(1-methylsulfonylpiperidin-4-yl)-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
SMILESC[C@@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@H]1CCCO1
InChIInChI=1S/C13H25N3O4S/c1-10(12-4-3-9-20-12)14-13(17)15-11-5-7-16(8-6-11)21(2,18)19/h10-12H,3-9H2,1-2H3,(H2,14,15,17)/t10-,12-/m1/s1
InChIKeyRTPOAHDGPXDURK-ZYHUDNBSSA-N
XLogP0.28
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-4-carboxamide
CID 35250271
1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 27450560
1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 94029201
N-(1-methylsulfonylpiperidin-4-yl)-3-[(2S)-oxolan-2-yl]propanamide
CID 94097831
1-(1-ethylpiperidin-4-yl)-3-[(1S)-1-[(2R)-oxolan-2-yl]propyl]urea
CID 97244266
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]azepane-1-sulfonamide
CID 35612991
4-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61198516
1-(1-methylsulfonylpiperidin-4-yl)-3-[(2R)-2-pyrrolidin-1-ylpropyl]urea
CID 95133776
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
(2R)-2-amino-4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pentanamide
CID 56865366
2,2-dimethyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 29038214
N-cyclopentyl-2-[1-(oxolan-2-yl)ethylamino]propanamide
CID 43329481

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpiperidin-4-yl)-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea?
The IUPAC name of 1-(1-methylsulfonylpiperidin-4-yl)-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea (CID 38311387) is 1-(1-methylsulfonylpiperidin-4-yl)-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea.
What is the SMILES notation for 1-(1-methylsulfonylpiperidin-4-yl)-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea?
The canonical SMILES for 1-(1-methylsulfonylpiperidin-4-yl)-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea is C[C@@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@H]1CCCO1.
What is the InChIKey of 1-(1-methylsulfonylpiperidin-4-yl)-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea?
The InChIKey is RTPOAHDGPXDURK-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H25N3O4S/c1-10(12-4-3-9-20-12)14-13(17)15-11-5-7-16(8-6-11)21(2,18)19/h10-12H,3-9H2,1-2H3,(H2,14,15,17)/t10-,12-/m1/s1.
What are the key properties of 1-(1-methylsulfonylpiperidin-4-yl)-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea?
1-(1-methylsulfonylpiperidin-4-yl)-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea has a molecular weight of 319.43 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpiperidin-4-yl)-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea is sourced from PubChem (CID 38311387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).