N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide

C12H25N3O4S — CID 119631281

IUPACN-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NCC(=O)N1CCCC1CN
InChIInChI=1S/C12H25N3O4S/c1-10(2)19-6-7-20(17,18)14-9-12(16)15-5-3-4-11(15)8-13/h10-11,14H,3-9,13H2,1-2H3
InChIKeyWOQFUQRVHCKAIF-UHFFFAOYSA-N
MW307.42 g/mol
LogP-0.72
Rot. Bonds8

About N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide

N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide (PubChem CID 119631281) has the molecular formula C12H25N3O4S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide
PubChem CID119631281
Molecular FormulaC12H25N3O4S
Molecular Weight307.42 g/mol
Exact Mass307.16
IUPAC NameN-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NCC(=O)N1CCCC1CN
InChIInChI=1S/C12H25N3O4S/c1-10(2)19-6-7-20(17,18)14-9-12(16)15-5-3-4-11(15)8-13/h10-11,14H,3-9,13H2,1-2H3
InChIKeyWOQFUQRVHCKAIF-UHFFFAOYSA-N
XLogP-0.72
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-ethoxyethanesulfonamide;hydrochloride
CID 119634250
N-(2-aminoethyl)-1-[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]piperidine-3-carboxamide
CID 119479631
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone
CID 84706589
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride
CID 119634234
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one;hydrochloride
CID 119649266
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide
CID 119572623
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119631400
[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-2-yl]methanol
CID 79594903
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-methoxyethoxy)ethanone;hydrochloride
CID 119633758
1-[2-(aminomethyl)pyrrolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbutan-1-one
CID 119630905
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-ethoxyethanesulfonamide
CID 119381316
4-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229868

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide (CID 119631281) is N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)NCC(=O)N1CCCC1CN.
What is the InChIKey of N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide?
The InChIKey is WOQFUQRVHCKAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4S/c1-10(2)19-6-7-20(17,18)14-9-12(16)15-5-3-4-11(15)8-13/h10-11,14H,3-9,13H2,1-2H3.
What are the key properties of N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide?
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide has a molecular weight of 307.42 g/mol, XLogP of -0.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 119631281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).