1-amino-N-butylsulfonylcyclopropane-1-carboxamide

C8H16N2O3S — CID 15427835

IUPAC1-amino-N-butylsulfonylcyclopropane-1-carboxamide
SMILESCCCCS(=O)(=O)NC(=O)C1(N)CC1
InChIInChI=1S/C8H16N2O3S/c1-2-3-6-14(12,13)10-7(11)8(9)4-5-8/h2-6,9H2,1H3,(H,10,11)
InChIKeyOJGGWNHMOHVREQ-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.28
Rot. Bonds5

About 1-amino-N-butylsulfonylcyclopropane-1-carboxamide

1-amino-N-butylsulfonylcyclopropane-1-carboxamide (PubChem CID 15427835) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-amino-N-butylsulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-butylsulfonylcyclopropane-1-carboxamide
PubChem CID15427835
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name1-amino-N-butylsulfonylcyclopropane-1-carboxamide
SMILESCCCCS(=O)(=O)NC(=O)C1(N)CC1
InChIInChI=1S/C8H16N2O3S/c1-2-3-6-14(12,13)10-7(11)8(9)4-5-8/h2-6,9H2,1H3,(H,10,11)
InChIKeyOJGGWNHMOHVREQ-UHFFFAOYSA-N
XLogP-0.28
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-butylsulfonylcyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-butylsulfonylcyclopropane-1-carboxamide (CID 15427835) is 1-amino-N-butylsulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-butylsulfonylcyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-butylsulfonylcyclopropane-1-carboxamide is CCCCS(=O)(=O)NC(=O)C1(N)CC1.
What is the InChIKey of 1-amino-N-butylsulfonylcyclopropane-1-carboxamide?
The InChIKey is OJGGWNHMOHVREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-2-3-6-14(12,13)10-7(11)8(9)4-5-8/h2-6,9H2,1H3,(H,10,11).
What are the key properties of 1-amino-N-butylsulfonylcyclopropane-1-carboxamide?
1-amino-N-butylsulfonylcyclopropane-1-carboxamide has a molecular weight of 220.29 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-butylsulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 15427835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).