N-ethyl-4-[1-(ethylsulfonylamino)propan-2-ylamino]piperidine-1-carboxamide

C13H28N4O3S — CID 131925200

IUPACN-ethyl-4-[1-(ethylsulfonylamino)propan-2-ylamino]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(C)CNS(=O)(=O)CC)CC1
InChIInChI=1S/C13H28N4O3S/c1-4-14-13(18)17-8-6-12(7-9-17)16-11(3)10-15-21(19,20)5-2/h11-12,15-16H,4-10H2,1-3H3,(H,14,18)
InChIKeyLQMFEDZACVAKSN-UHFFFAOYSA-N
MW320.46 g/mol
LogP0.10
Rot. Bonds7

About N-ethyl-4-[1-(ethylsulfonylamino)propan-2-ylamino]piperidine-1-carboxamide

N-ethyl-4-[1-(ethylsulfonylamino)propan-2-ylamino]piperidine-1-carboxamide (PubChem CID 131925200) has the molecular formula C13H28N4O3S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-ethyl-4-[1-(ethylsulfonylamino)propan-2-ylamino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[1-(ethylsulfonylamino)propan-2-ylamino]piperidine-1-carboxamide
PubChem CID131925200
Molecular FormulaC13H28N4O3S
Molecular Weight320.46 g/mol
Exact Mass320.19
IUPAC NameN-ethyl-4-[1-(ethylsulfonylamino)propan-2-ylamino]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(C)CNS(=O)(=O)CC)CC1
InChIInChI=1S/C13H28N4O3S/c1-4-14-13(18)17-8-6-12(7-9-17)16-11(3)10-15-21(19,20)5-2/h11-12,15-16H,4-10H2,1-3H3,(H,14,18)
InChIKeyLQMFEDZACVAKSN-UHFFFAOYSA-N
XLogP0.10
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(2-methylpropylamino)piperidine-1-carboxamide
CID 115903388
N-ethyl-3-(propylsulfonylamino)pyrrolidine-1-carboxamide
CID 154750307
4-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-ethylpiperidine-1-carboxamide
CID 56704969
N-[2-[(1,1-dioxothian-4-yl)amino]propyl]propane-1-sulfonamide
CID 131900362
N-ethyl-4-(3-fluoropropylamino)piperidine-1-carboxamide
CID 115903706
N-[1-(2-bromopropanoyl)piperidin-4-yl]ethanesulfonamide
CID 107904557
N-[1-(2-chloropropanoyl)piperidin-4-yl]ethanesulfonamide
CID 54875918
1-[4-(1-ethylsulfonylpropan-2-ylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 115653928
N-ethyl-4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidine-1-carboxamide
CID 128995387
N-[1-(2-ethylbutanoyl)piperidin-4-yl]ethanesulfonamide
CID 110820083
N-ethyl-4-[2-methyl-3-(methylamino)propanoyl]piperazine-1-carboxamide;hydrochloride
CID 119695730
N-ethyl-4-[2-(methylamino)-2-oxoethyl]sulfonylpiperidine-1-carboxamide
CID 90592778

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[1-(ethylsulfonylamino)propan-2-ylamino]piperidine-1-carboxamide?
The IUPAC name of N-ethyl-4-[1-(ethylsulfonylamino)propan-2-ylamino]piperidine-1-carboxamide (CID 131925200) is N-ethyl-4-[1-(ethylsulfonylamino)propan-2-ylamino]piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[1-(ethylsulfonylamino)propan-2-ylamino]piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[1-(ethylsulfonylamino)propan-2-ylamino]piperidine-1-carboxamide is CCNC(=O)N1CCC(NC(C)CNS(=O)(=O)CC)CC1.
What is the InChIKey of N-ethyl-4-[1-(ethylsulfonylamino)propan-2-ylamino]piperidine-1-carboxamide?
The InChIKey is LQMFEDZACVAKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O3S/c1-4-14-13(18)17-8-6-12(7-9-17)16-11(3)10-15-21(19,20)5-2/h11-12,15-16H,4-10H2,1-3H3,(H,14,18).
What are the key properties of N-ethyl-4-[1-(ethylsulfonylamino)propan-2-ylamino]piperidine-1-carboxamide?
N-ethyl-4-[1-(ethylsulfonylamino)propan-2-ylamino]piperidine-1-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[1-(ethylsulfonylamino)propan-2-ylamino]piperidine-1-carboxamide is sourced from PubChem (CID 131925200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).