2-(3-aminobutylsulfonyl)-N-cyclopropylpropanamide

C10H20N2O3S — CID 81194493

IUPAC2-(3-aminobutylsulfonyl)-N-cyclopropylpropanamide
SMILESCC(N)CCS(=O)(=O)C(C)C(=O)NC1CC1
InChIInChI=1S/C10H20N2O3S/c1-7(11)5-6-16(14,15)8(2)10(13)12-9-3-4-9/h7-9H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyIUDPUXCWTJGOPL-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.19
Rot. Bonds6

About 2-(3-aminobutylsulfonyl)-N-cyclopropylpropanamide

2-(3-aminobutylsulfonyl)-N-cyclopropylpropanamide (PubChem CID 81194493) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(3-aminobutylsulfonyl)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(3-aminobutylsulfonyl)-N-cyclopropylpropanamide
PubChem CID81194493
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2-(3-aminobutylsulfonyl)-N-cyclopropylpropanamide
SMILESCC(N)CCS(=O)(=O)C(C)C(=O)NC1CC1
InChIInChI=1S/C10H20N2O3S/c1-7(11)5-6-16(14,15)8(2)10(13)12-9-3-4-9/h7-9H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyIUDPUXCWTJGOPL-UHFFFAOYSA-N
XLogP-0.19
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminobutylsulfonyl)-N-cyclopentylpropanamide
CID 81195838
5-amino-N-cyclopropylhexanamide
CID 82848782
(2S)-2-[(E)-but-2-enyl]sulfonyl-N-(4-methylcyclohexyl)propanamide
CID 95652956
6-amino-N-(4-aminocyclohexyl)-2-methylheptanamide
CID 65291413
N-[2-(3-methylbutylsulfonyl)propyl]cyclopropanamine
CID 107757830
2-but-2-enylsulfonyl-N-cyclohexylpropanamide
CID 72686246
2-amino-N-cyclooctyl-4-methylsulfonylbutanamide
CID 24708067
2-(3-aminobutylsulfanyl)-N-cyclopropylacetamide
CID 66234862
N-cyclopropyl-2-(3-phenylprop-2-enylsulfonyl)propanamide
CID 131962739
2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 5083762
4-amino-N-(4-ethylcyclohexyl)pentanamide;hydrochloride
CID 120560101
2-(3-aminobutylsulfinyl)-N-cyclopropylacetamide
CID 81194624

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminobutylsulfonyl)-N-cyclopropylpropanamide?
The IUPAC name of 2-(3-aminobutylsulfonyl)-N-cyclopropylpropanamide (CID 81194493) is 2-(3-aminobutylsulfonyl)-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(3-aminobutylsulfonyl)-N-cyclopropylpropanamide?
The canonical SMILES for 2-(3-aminobutylsulfonyl)-N-cyclopropylpropanamide is CC(N)CCS(=O)(=O)C(C)C(=O)NC1CC1.
What is the InChIKey of 2-(3-aminobutylsulfonyl)-N-cyclopropylpropanamide?
The InChIKey is IUDPUXCWTJGOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-7(11)5-6-16(14,15)8(2)10(13)12-9-3-4-9/h7-9H,3-6,11H2,1-2H3,(H,12,13).
What are the key properties of 2-(3-aminobutylsulfonyl)-N-cyclopropylpropanamide?
2-(3-aminobutylsulfonyl)-N-cyclopropylpropanamide has a molecular weight of 248.35 g/mol, XLogP of -0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminobutylsulfonyl)-N-cyclopropylpropanamide is sourced from PubChem (CID 81194493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).