4-amino-N-propylsulfonyloxane-4-carboxamide

C9H18N2O4S — CID 103307647

IUPAC4-amino-N-propylsulfonyloxane-4-carboxamide
SMILESCCCS(=O)(=O)NC(=O)C1(N)CCOCC1
InChIInChI=1S/C9H18N2O4S/c1-2-7-16(13,14)11-8(12)9(10)3-5-15-6-4-9/h2-7,10H2,1H3,(H,11,12)
InChIKeyIQIOTUMVYRIODT-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.65
Rot. Bonds4

About 4-amino-N-propylsulfonyloxane-4-carboxamide

4-amino-N-propylsulfonyloxane-4-carboxamide (PubChem CID 103307647) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-amino-N-propylsulfonyloxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-propylsulfonyloxane-4-carboxamide
PubChem CID103307647
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name4-amino-N-propylsulfonyloxane-4-carboxamide
SMILESCCCS(=O)(=O)NC(=O)C1(N)CCOCC1
InChIInChI=1S/C9H18N2O4S/c1-2-7-16(13,14)11-8(12)9(10)3-5-15-6-4-9/h2-7,10H2,1H3,(H,11,12)
InChIKeyIQIOTUMVYRIODT-UHFFFAOYSA-N
XLogP-0.65
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-propylsulfonylcyclohexane-1-carboxamide
CID 103307202
1-amino-N-butylsulfonylcyclopropane-1-carboxamide
CID 15427835
4-amino-N-[2-(ethylsulfamoyl)ethyl]oxane-4-carboxamide
CID 103845768
4-amino-N-butyloxane-4-carboxamide
CID 115293500
4-amino-N-hexan-3-yloxane-4-carboxamide
CID 115294789
4-amino-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
CID 107219174
4-amino-N-(4-methylhexan-2-yl)oxane-4-carboxamide
CID 113280840
1-(3-aminooxolan-3-yl)-3-propylsulfonylpropan-1-one
CID 106736519
4-amino-N-(2-hydroxyethyl)oxane-4-carboxamide
CID 115293654
4-amino-N-(2-aminoethyl)oxane-4-carboxamide
CID 115294627
4-amino-N-(1-ethylsulfanylpropan-2-yl)oxane-4-carboxamide
CID 115763417
4-amino-N-(2-ethyl-2-methylsulfanylbutyl)oxane-4-carboxamide
CID 113335034

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-propylsulfonyloxane-4-carboxamide?
The IUPAC name of 4-amino-N-propylsulfonyloxane-4-carboxamide (CID 103307647) is 4-amino-N-propylsulfonyloxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-propylsulfonyloxane-4-carboxamide?
The canonical SMILES for 4-amino-N-propylsulfonyloxane-4-carboxamide is CCCS(=O)(=O)NC(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-propylsulfonyloxane-4-carboxamide?
The InChIKey is IQIOTUMVYRIODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-2-7-16(13,14)11-8(12)9(10)3-5-15-6-4-9/h2-7,10H2,1H3,(H,11,12).
What are the key properties of 4-amino-N-propylsulfonyloxane-4-carboxamide?
4-amino-N-propylsulfonyloxane-4-carboxamide has a molecular weight of 250.32 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-propylsulfonyloxane-4-carboxamide is sourced from PubChem (CID 103307647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).