(3R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-(methanesulfonamido)piperidine-1-carboxamide

C13H23N5O3S — CID 95134502

IUPAC(3R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-(methanesulfonamido)piperidine-1-carboxamide
SMILESC[C@@H](Cn1ccnc1)NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1
InChIInChI=1S/C13H23N5O3S/c1-11(8-17-7-5-14-10-17)15-13(19)18-6-3-4-12(9-18)16-22(2,20)21/h5,7,10-12,16H,3-4,6,8-9H2,1-2H3,(H,15,19)/t11-,12+/m0/s1
InChIKeyWNCHJUKLBFQTIV-NWDGAFQWSA-N
MW329.43 g/mol
LogP-0.01
Rot. Bonds5

About (3R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-(methanesulfonamido)piperidine-1-carboxamide

(3R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-(methanesulfonamido)piperidine-1-carboxamide (PubChem CID 95134502) has the molecular formula C13H23N5O3S and a molecular weight of 329.43 g/mol. Its IUPAC name is (3R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-(methanesulfonamido)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-(methanesulfonamido)piperidine-1-carboxamide
PubChem CID95134502
Molecular FormulaC13H23N5O3S
Molecular Weight329.43 g/mol
Exact Mass329.15
IUPAC Name(3R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-(methanesulfonamido)piperidine-1-carboxamide
SMILESC[C@@H](Cn1ccnc1)NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1
InChIInChI=1S/C13H23N5O3S/c1-11(8-17-7-5-14-10-17)15-13(19)18-6-3-4-12(9-18)16-22(2,20)21/h5,7,10-12,16H,3-4,6,8-9H2,1-2H3,(H,15,19)/t11-,12+/m0/s1
InChIKeyWNCHJUKLBFQTIV-NWDGAFQWSA-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

Analyze (3R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-(methanesulfonamido)piperidine-1-carboxamide with MolForge

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Related Compounds

N-[1-(imidazole-1-carbonyl)piperidin-3-yl]methanesulfonamide
CID 113225834
(2R,6S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylmorpholine-4-carboxamide
CID 100561408
N-[(2S)-1-imidazol-1-ylpropan-2-yl]thiomorpholine-4-carboxamide
CID 94122810
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 94049873
N-cyclohexyl-4-[[(2R)-1-imidazol-1-ylpropan-2-yl]amino]piperidine-1-carboxamide
CID 95388436
3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115583842
1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea
CID 94122854
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 94122773
N-[(2S)-1-imidazol-1-ylbutan-2-yl]azocane-1-carboxamide
CID 126446563
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
2-(1-imidazol-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 54958720
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 94122779

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-(methanesulfonamido)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-(methanesulfonamido)piperidine-1-carboxamide (CID 95134502) is (3R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-(methanesulfonamido)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-(methanesulfonamido)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-(methanesulfonamido)piperidine-1-carboxamide is C[C@@H](Cn1ccnc1)NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1.
What is the InChIKey of (3R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-(methanesulfonamido)piperidine-1-carboxamide?
The InChIKey is WNCHJUKLBFQTIV-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H23N5O3S/c1-11(8-17-7-5-14-10-17)15-13(19)18-6-3-4-12(9-18)16-22(2,20)21/h5,7,10-12,16H,3-4,6,8-9H2,1-2H3,(H,15,19)/t11-,12+/m0/s1.
What are the key properties of (3R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-(methanesulfonamido)piperidine-1-carboxamide?
(3R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-(methanesulfonamido)piperidine-1-carboxamide 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 (3R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-(methanesulfonamido)piperidine-1-carboxamide is sourced from PubChem (CID 95134502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).