N-[5-ethyl-1-[methyl-[(2-methylpropan-2-yl)oxy]amino]pyrrolidin-3-yl]cyclopropanesulfonamide

C14H29N3O3S — CID 166968101

IUPACN-[5-ethyl-1-[methyl-[(2-methylpropan-2-yl)oxy]amino]pyrrolidin-3-yl]cyclopropanesulfonamide
SMILESCCC1CC(NS(=O)(=O)C2CC2)CN1N(C)OC(C)(C)C
InChIInChI=1S/C14H29N3O3S/c1-6-12-9-11(15-21(18,19)13-7-8-13)10-17(12)16(5)20-14(2,3)4/h11-13,15H,6-10H2,1-5H3
InChIKeyFAAGYVRNJJOZMD-UHFFFAOYSA-N
MW319.47 g/mol
LogP1.50
Rot. Bonds6

About N-[5-ethyl-1-[methyl-[(2-methylpropan-2-yl)oxy]amino]pyrrolidin-3-yl]cyclopropanesulfonamide

N-[5-ethyl-1-[methyl-[(2-methylpropan-2-yl)oxy]amino]pyrrolidin-3-yl]cyclopropanesulfonamide (PubChem CID 166968101) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is N-[5-ethyl-1-[methyl-[(2-methylpropan-2-yl)oxy]amino]pyrrolidin-3-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[5-ethyl-1-[methyl-[(2-methylpropan-2-yl)oxy]amino]pyrrolidin-3-yl]cyclopropanesulfonamide
PubChem CID166968101
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC NameN-[5-ethyl-1-[methyl-[(2-methylpropan-2-yl)oxy]amino]pyrrolidin-3-yl]cyclopropanesulfonamide
SMILESCCC1CC(NS(=O)(=O)C2CC2)CN1N(C)OC(C)(C)C
InChIInChI=1S/C14H29N3O3S/c1-6-12-9-11(15-21(18,19)13-7-8-13)10-17(12)16(5)20-14(2,3)4/h11-13,15H,6-10H2,1-5H3
InChIKeyFAAGYVRNJJOZMD-UHFFFAOYSA-N
XLogP1.50
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-ethylcyclopentyl)cyclopropanesulfonamide
CID 76828844
N-[(3S,5R)-5-ethyl-1-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)pyrrolidin-3-yl]cyclopropanesulfonamide
CID 67998554
(1S,2R,4S)-4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid
CID 58010069
(1S,2S,4R)-4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid
CID 67998853
N-[1-(2-methylpropyl)piperidin-3-yl]cyclopropanesulfonamide
CID 155800405
N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanesulfonamide
CID 99987789
N-[(3S,5R)-5-ethyl-1-[5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]pyrrolidin-3-yl]cyclopropanesulfonamide
CID 67998837
N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclopropanesulfonamide
CID 165443916
tert-butyl (3S)-3-[[7-(cyclopropylsulfonylamino)-2-azaspiro[3.5]nonan-2-yl]methyl]pyrrolidine-1-carboxylate
CID 166150816
tert-butyl N-[(3S,5R)-1-acetyl-5-ethylpyrrolidin-3-yl]carbamate
CID 143810553
N-[1-(cyclobutylmethyl)piperidin-3-yl]cyclopropanesulfonamide
CID 155800394
3-methoxy-3-methyl-1-(3-methylsulfonylcyclohexyl)-N-propylbutan-1-amine
CID 103028585

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-1-[methyl-[(2-methylpropan-2-yl)oxy]amino]pyrrolidin-3-yl]cyclopropanesulfonamide?
The IUPAC name of N-[5-ethyl-1-[methyl-[(2-methylpropan-2-yl)oxy]amino]pyrrolidin-3-yl]cyclopropanesulfonamide (CID 166968101) is N-[5-ethyl-1-[methyl-[(2-methylpropan-2-yl)oxy]amino]pyrrolidin-3-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[5-ethyl-1-[methyl-[(2-methylpropan-2-yl)oxy]amino]pyrrolidin-3-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[5-ethyl-1-[methyl-[(2-methylpropan-2-yl)oxy]amino]pyrrolidin-3-yl]cyclopropanesulfonamide is CCC1CC(NS(=O)(=O)C2CC2)CN1N(C)OC(C)(C)C.
What is the InChIKey of N-[5-ethyl-1-[methyl-[(2-methylpropan-2-yl)oxy]amino]pyrrolidin-3-yl]cyclopropanesulfonamide?
The InChIKey is FAAGYVRNJJOZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-6-12-9-11(15-21(18,19)13-7-8-13)10-17(12)16(5)20-14(2,3)4/h11-13,15H,6-10H2,1-5H3.
What are the key properties of N-[5-ethyl-1-[methyl-[(2-methylpropan-2-yl)oxy]amino]pyrrolidin-3-yl]cyclopropanesulfonamide?
N-[5-ethyl-1-[methyl-[(2-methylpropan-2-yl)oxy]amino]pyrrolidin-3-yl]cyclopropanesulfonamide has a molecular weight of 319.47 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-1-[methyl-[(2-methylpropan-2-yl)oxy]amino]pyrrolidin-3-yl]cyclopropanesulfonamide is sourced from PubChem (CID 166968101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).