N-[1-[2-(cyclopropylmethylamino)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride

C11H22ClN3O3S — CID 119793534

IUPACN-[1-[2-(cyclopropylmethylamino)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NC1CCN(C(=O)CNCC2CC2)C1.Cl
InChIInChI=1S/C11H21N3O3S.ClH/c1-18(16,17)13-10-4-5-14(8-10)11(15)7-12-6-9-2-3-9;/h9-10,12-13H,2-8H2,1H3;1H
InChIKeyHZTJGVWFEJMMQL-UHFFFAOYSA-N
MW311.84 g/mol
LogP-0.44
Rot. Bonds6

About N-[1-[2-(cyclopropylmethylamino)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride

N-[1-[2-(cyclopropylmethylamino)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride (PubChem CID 119793534) has the molecular formula C11H22ClN3O3S and a molecular weight of 311.84 g/mol. Its IUPAC name is N-[1-[2-(cyclopropylmethylamino)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-(cyclopropylmethylamino)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
PubChem CID119793534
Molecular FormulaC11H22ClN3O3S
Molecular Weight311.84 g/mol
Exact Mass311.11
IUPAC NameN-[1-[2-(cyclopropylmethylamino)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NC1CCN(C(=O)CNCC2CC2)C1.Cl
InChIInChI=1S/C11H21N3O3S.ClH/c1-18(16,17)13-10-4-5-14(8-10)11(15)7-12-6-9-2-3-9;/h9-10,12-13H,2-8H2,1H3;1H
InChIKeyHZTJGVWFEJMMQL-UHFFFAOYSA-N
XLogP-0.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone;hydrochloride
CID 119791443
N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride
CID 119780859
N-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 95051787
N-[1-[2-(4-aminophenyl)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 119793520
2-(cyclopropylmethylamino)-1-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119821813
2-(cyclopropylmethylamino)-1-(4-methoxypiperidin-1-yl)ethanone;hydrochloride
CID 119697100
2-(cyclopropylmethylamino)-1-[3-(methoxymethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119781761
N-[1-(3-aminobutanoyl)piperidin-3-yl]methanesulfonamide
CID 54871310
2-(cyclopropylmethylamino)-1-(3,4-dimethylpiperazin-1-yl)ethanone
CID 63633328
N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]butanamide
CID 60948008
N-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]methanesulfonamide
CID 79854784
1-(4-acetyl-1,4-diazepan-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride
CID 119399355

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropylmethylamino)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[1-[2-(cyclopropylmethylamino)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride (CID 119793534) is N-[1-[2-(cyclopropylmethylamino)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[1-[2-(cyclopropylmethylamino)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[1-[2-(cyclopropylmethylamino)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride is CS(=O)(=O)NC1CCN(C(=O)CNCC2CC2)C1.Cl.
What is the InChIKey of N-[1-[2-(cyclopropylmethylamino)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride?
The InChIKey is HZTJGVWFEJMMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S.ClH/c1-18(16,17)13-10-4-5-14(8-10)11(15)7-12-6-9-2-3-9;/h9-10,12-13H,2-8H2,1H3;1H.
What are the key properties of N-[1-[2-(cyclopropylmethylamino)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride?
N-[1-[2-(cyclopropylmethylamino)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride has a molecular weight of 311.84 g/mol, XLogP of -0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopropylmethylamino)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 119793534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).