1-[2-(aminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone

C10H20N2O3S — CID 84706589

IUPAC1-[2-(aminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone
SMILESCC(C)S(=O)(=O)CC(=O)N1CCCC1CN
InChIInChI=1S/C10H20N2O3S/c1-8(2)16(14,15)7-10(13)12-5-3-4-9(12)6-11/h8-9H,3-7,11H2,1-2H3
InChIKeyKXQQDAUCHQEIBO-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.24
Rot. Bonds4

About 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone

1-[2-(aminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone (PubChem CID 84706589) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone
PubChem CID84706589
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name1-[2-(aminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone
SMILESCC(C)S(=O)(=O)CC(=O)N1CCCC1CN
InChIInChI=1S/C10H20N2O3S/c1-8(2)16(14,15)7-10(13)12-5-3-4-9(12)6-11/h8-9H,3-7,11H2,1-2H3
InChIKeyKXQQDAUCHQEIBO-UHFFFAOYSA-N
XLogP-0.24
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone
CID 119649061
1-[2-(aminomethyl)piperidin-1-yl]-2-cyclopentylsulfonylethanone;hydrochloride
CID 119466764
1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 28706895
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 58333551
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cyclopropylpropan-1-one
CID 81482767
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cycloheptylethanone
CID 113265851
1-[2-(aminomethyl)piperidin-1-yl]-3-ethylpentan-1-one
CID 119467538
1-[2-(aminomethyl)azepan-1-yl]-4-methoxypentan-1-one
CID 116640028
1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 96680756
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide
CID 119631281
[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanamine
CID 84698058
1-[2-(aminomethyl)pyrrolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbutan-1-one
CID 119630905

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone?
The IUPAC name of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone (CID 84706589) is 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone.
What is the SMILES notation for 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone?
The canonical SMILES for 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone is CC(C)S(=O)(=O)CC(=O)N1CCCC1CN.
What is the InChIKey of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone?
The InChIKey is KXQQDAUCHQEIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-8(2)16(14,15)7-10(13)12-5-3-4-9(12)6-11/h8-9H,3-7,11H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone?
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone has a molecular weight of 248.35 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone is sourced from PubChem (CID 84706589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).