4-(butylsulfonylamino)pyrrolidine-1,2-dicarboxamide

C10H20N4O4S — CID 141098602

IUPAC4-(butylsulfonylamino)pyrrolidine-1,2-dicarboxamide
SMILESCCCCS(=O)(=O)NC1CC(C(N)=O)N(C(N)=O)C1
InChIInChI=1S/C10H20N4O4S/c1-2-3-4-19(17,18)13-7-5-8(9(11)15)14(6-7)10(12)16/h7-8,13H,2-6H2,1H3,(H2,11,15)(H2,12,16)
InChIKeyHXVTVWDXONVDPZ-UHFFFAOYSA-N
MW292.36 g/mol
LogP-1.29
Rot. Bonds6

About 4-(butylsulfonylamino)pyrrolidine-1,2-dicarboxamide

4-(butylsulfonylamino)pyrrolidine-1,2-dicarboxamide (PubChem CID 141098602) has the molecular formula C10H20N4O4S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-(butylsulfonylamino)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name4-(butylsulfonylamino)pyrrolidine-1,2-dicarboxamide
PubChem CID141098602
Molecular FormulaC10H20N4O4S
Molecular Weight292.36 g/mol
Exact Mass292.12
IUPAC Name4-(butylsulfonylamino)pyrrolidine-1,2-dicarboxamide
SMILESCCCCS(=O)(=O)NC1CC(C(N)=O)N(C(N)=O)C1
InChIInChI=1S/C10H20N4O4S/c1-2-3-4-19(17,18)13-7-5-8(9(11)15)14(6-7)10(12)16/h7-8,13H,2-6H2,1H3,(H2,11,15)(H2,12,16)
InChIKeyHXVTVWDXONVDPZ-UHFFFAOYSA-N
XLogP-1.29
TPSA135.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(1-propan-2-ylpiperidin-4-yl)butane-1-sulfonamide
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N-(1-pentanoylpiperidin-4-yl)propane-1-sulfonamide
CID 110819565
4-(butylsulfonylamino)-N-(2,2-dimethylpropyl)piperidine-1-carboxamide
CID 110822591
N-ethyl-3-(propylsulfonylamino)pyrrolidine-1-carboxamide
CID 154750307
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108566173
4-hydroxy-1-propanoylpyrrolidine-2-carboxamide
CID 64591082
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butane-1-sulfonamide
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3-hydroxy-N-(4-propylcyclohexyl)propane-1-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 4-(butylsulfonylamino)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 4-(butylsulfonylamino)pyrrolidine-1,2-dicarboxamide (CID 141098602) is 4-(butylsulfonylamino)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 4-(butylsulfonylamino)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 4-(butylsulfonylamino)pyrrolidine-1,2-dicarboxamide is CCCCS(=O)(=O)NC1CC(C(N)=O)N(C(N)=O)C1.
What is the InChIKey of 4-(butylsulfonylamino)pyrrolidine-1,2-dicarboxamide?
The InChIKey is HXVTVWDXONVDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O4S/c1-2-3-4-19(17,18)13-7-5-8(9(11)15)14(6-7)10(12)16/h7-8,13H,2-6H2,1H3,(H2,11,15)(H2,12,16).
What are the key properties of 4-(butylsulfonylamino)pyrrolidine-1,2-dicarboxamide?
4-(butylsulfonylamino)pyrrolidine-1,2-dicarboxamide has a molecular weight of 292.36 g/mol, XLogP of -1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylsulfonylamino)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 141098602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).