1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(1-methylsulfonylpiperidin-4-yl)urea

C13H23N5O3S — CID 94049873

IUPAC1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(1-methylsulfonylpiperidin-4-yl)urea
SMILESC[C@H](Cn1ccnc1)NC(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H23N5O3S/c1-11(9-17-8-5-14-10-17)15-13(19)16-12-3-6-18(7-4-12)22(2,20)21/h5,8,10-12H,3-4,6-7,9H2,1-2H3,(H2,15,16,19)/t11-/m1/s1
InChIKeyMSPQFDIDHALNKK-LLVKDONJSA-N
MW329.43 g/mol
LogP-0.01
Rot. Bonds5

About 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(1-methylsulfonylpiperidin-4-yl)urea

1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(1-methylsulfonylpiperidin-4-yl)urea (PubChem CID 94049873) has the molecular formula C13H23N5O3S and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(1-methylsulfonylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(1-methylsulfonylpiperidin-4-yl)urea
PubChem CID94049873
Molecular FormulaC13H23N5O3S
Molecular Weight329.43 g/mol
Exact Mass329.15
IUPAC Name1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(1-methylsulfonylpiperidin-4-yl)urea
SMILESC[C@H](Cn1ccnc1)NC(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H23N5O3S/c1-11(9-17-8-5-14-10-17)15-13(19)16-12-3-6-18(7-4-12)22(2,20)21/h5,8,10-12H,3-4,6-7,9H2,1-2H3,(H2,15,16,19)/t11-/m1/s1
InChIKeyMSPQFDIDHALNKK-LLVKDONJSA-N
XLogP-0.01
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[(2R)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 95134639
1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea
CID 94122854
N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 61494543
(3R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 95134502
N-cyclohexyl-4-[[(2R)-1-imidazol-1-ylpropan-2-yl]amino]piperidine-1-carboxamide
CID 95388436
3-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957826
N-[2-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162041
4-(imidazol-1-ylmethyl)-1-methylsulfonylpiperidine
CID 95982272
N-[(2S)-1-imidazol-1-ylpropan-2-yl]thiomorpholine-4-carboxamide
CID 94122810
4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 60847096
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea
CID 94156417
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
CID 94156418

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(1-methylsulfonylpiperidin-4-yl)urea?
The IUPAC name of 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(1-methylsulfonylpiperidin-4-yl)urea (CID 94049873) is 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(1-methylsulfonylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(1-methylsulfonylpiperidin-4-yl)urea?
The canonical SMILES for 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(1-methylsulfonylpiperidin-4-yl)urea is C[C@H](Cn1ccnc1)NC(=O)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(1-methylsulfonylpiperidin-4-yl)urea?
The InChIKey is MSPQFDIDHALNKK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23N5O3S/c1-11(9-17-8-5-14-10-17)15-13(19)16-12-3-6-18(7-4-12)22(2,20)21/h5,8,10-12H,3-4,6-7,9H2,1-2H3,(H2,15,16,19)/t11-/m1/s1.
What are the key properties of 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(1-methylsulfonylpiperidin-4-yl)urea?
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(1-methylsulfonylpiperidin-4-yl)urea has a molecular weight of 329.43 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(1-methylsulfonylpiperidin-4-yl)urea is sourced from PubChem (CID 94049873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).