2-(3-aminopropylsulfonyl)-1-morpholin-4-ylethanone

C9H18N2O4S — CID 79015170

IUPAC2-(3-aminopropylsulfonyl)-1-morpholin-4-ylethanone
SMILESNCCCS(=O)(=O)CC(=O)N1CCOCC1
InChIInChI=1S/C9H18N2O4S/c10-2-1-7-16(13,14)8-9(12)11-3-5-15-6-4-11/h1-8,10H2
InChIKeyYHPDJSMXHXFCRC-UHFFFAOYSA-N
MW250.32 g/mol
LogP-1.39
Rot. Bonds5

About 2-(3-aminopropylsulfonyl)-1-morpholin-4-ylethanone

2-(3-aminopropylsulfonyl)-1-morpholin-4-ylethanone (PubChem CID 79015170) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-(3-aminopropylsulfonyl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(3-aminopropylsulfonyl)-1-morpholin-4-ylethanone
PubChem CID79015170
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name2-(3-aminopropylsulfonyl)-1-morpholin-4-ylethanone
SMILESNCCCS(=O)(=O)CC(=O)N1CCOCC1
InChIInChI=1S/C9H18N2O4S/c10-2-1-7-16(13,14)8-9(12)11-3-5-15-6-4-11/h1-8,10H2
InChIKeyYHPDJSMXHXFCRC-UHFFFAOYSA-N
XLogP-1.39
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanethioamide
CID 82182221
3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanenitrile
CID 82181515
5-amino-1-morpholin-4-ylpentan-1-one
CID 54404632
6-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)hexan-1-one
CID 4861310
7-amino-1-(1,4-oxazepan-4-yl)heptan-1-one
CID 62973457
2-(3-hydroxypropylsulfonyl)-1-piperidin-1-ylethanone
CID 82181863
2-(5-aminohexylsulfonyl)-1-pyrrolidin-1-ylethanone
CID 114236177
5-morpholin-4-yl-5-oxopentanamide
CID 135345694
2-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoic acid
CID 43186071
1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone
CID 55687640
4-(2-oxo-2-piperazin-1-ylethyl)sulfonylbutanoic acid
CID 82182894
1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-pentylsulfonylethanone
CID 102559116

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylsulfonyl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(3-aminopropylsulfonyl)-1-morpholin-4-ylethanone (CID 79015170) is 2-(3-aminopropylsulfonyl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(3-aminopropylsulfonyl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(3-aminopropylsulfonyl)-1-morpholin-4-ylethanone is NCCCS(=O)(=O)CC(=O)N1CCOCC1.
What is the InChIKey of 2-(3-aminopropylsulfonyl)-1-morpholin-4-ylethanone?
The InChIKey is YHPDJSMXHXFCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c10-2-1-7-16(13,14)8-9(12)11-3-5-15-6-4-11/h1-8,10H2.
What are the key properties of 2-(3-aminopropylsulfonyl)-1-morpholin-4-ylethanone?
2-(3-aminopropylsulfonyl)-1-morpholin-4-ylethanone has a molecular weight of 250.32 g/mol, XLogP of -1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylsulfonyl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 79015170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).