N-ethyl-3-(propylsulfonylamino)pyrrolidine-1-carboxamide

C10H21N3O3S — CID 154750307

IUPACN-ethyl-3-(propylsulfonylamino)pyrrolidine-1-carboxamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)NCC)C1
InChIInChI=1S/C10H21N3O3S/c1-3-7-17(15,16)12-9-5-6-13(8-9)10(14)11-4-2/h9,12H,3-8H2,1-2H3,(H,11,14)
InChIKeyXIQDAURMFBOOKD-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.12
Rot. Bonds5

About N-ethyl-3-(propylsulfonylamino)pyrrolidine-1-carboxamide

N-ethyl-3-(propylsulfonylamino)pyrrolidine-1-carboxamide (PubChem CID 154750307) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-ethyl-3-(propylsulfonylamino)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-(propylsulfonylamino)pyrrolidine-1-carboxamide
PubChem CID154750307
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC NameN-ethyl-3-(propylsulfonylamino)pyrrolidine-1-carboxamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)NCC)C1
InChIInChI=1S/C10H21N3O3S/c1-3-7-17(15,16)12-9-5-6-13(8-9)10(14)11-4-2/h9,12H,3-8H2,1-2H3,(H,11,14)
InChIKeyXIQDAURMFBOOKD-UHFFFAOYSA-N
XLogP0.12
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-3-(propylsulfonylamino)pyrrolidine-1-carboxamide
CID 51108800
3-[(2-aminoacetyl)amino]-N-ethylpyrrolidine-1-carboxamide
CID 119344677
N-cyclopentyl-4-(propylsulfonylamino)piperidine-1-carboxamide
CID 38287363
4-(butylsulfonylamino)-N-(2,2-dimethylpropyl)piperidine-1-carboxamide
CID 110822591
N-[(3R)-1-[(2R)-2-phenoxy-2-phenylacetyl]pyrrolidin-3-yl]propane-1-sulfonamide
CID 95300634
N-(1-pentanoylpiperidin-4-yl)propane-1-sulfonamide
CID 110819565
(3S)-N-ethyl-3-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 172646385
4-(propylsulfonylamino)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-1-carboxamide
CID 86984564
N-(1-methylpiperidin-3-yl)propane-1-sulfonamide
CID 61384296
3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N-ethylpyrrolidine-1-carboxamide
CID 139006719
N-(4-ethylphenyl)-4-(propylsulfonylamino)piperidine-1-carboxamide
CID 47032203
N-ethyl-4-[1-(ethylsulfonylamino)propan-2-ylamino]piperidine-1-carboxamide
CID 131925200

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(propylsulfonylamino)pyrrolidine-1-carboxamide?
The IUPAC name of N-ethyl-3-(propylsulfonylamino)pyrrolidine-1-carboxamide (CID 154750307) is N-ethyl-3-(propylsulfonylamino)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-(propylsulfonylamino)pyrrolidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-(propylsulfonylamino)pyrrolidine-1-carboxamide is CCCS(=O)(=O)NC1CCN(C(=O)NCC)C1.
What is the InChIKey of N-ethyl-3-(propylsulfonylamino)pyrrolidine-1-carboxamide?
The InChIKey is XIQDAURMFBOOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-3-7-17(15,16)12-9-5-6-13(8-9)10(14)11-4-2/h9,12H,3-8H2,1-2H3,(H,11,14).
What are the key properties of N-ethyl-3-(propylsulfonylamino)pyrrolidine-1-carboxamide?
N-ethyl-3-(propylsulfonylamino)pyrrolidine-1-carboxamide has a molecular weight of 263.36 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(propylsulfonylamino)pyrrolidine-1-carboxamide is sourced from PubChem (CID 154750307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).