1-amino-N-butylsulfonylcyclopropane-1-carboxamide;hydrochloride

C8H17ClN2O3S — CID 67600988

IUPAC1-amino-N-butylsulfonylcyclopropane-1-carboxamide;hydrochloride
SMILESCCCCS(=O)(=O)NC(=O)C1(N)CC1.Cl
InChIInChI=1S/C8H16N2O3S.ClH/c1-2-3-6-14(12,13)10-7(11)8(9)4-5-8;/h2-6,9H2,1H3,(H,10,11);1H
InChIKeyPMSNDHXTJVEVHB-UHFFFAOYSA-N
MW256.75 g/mol
LogP0.15
Rot. Bonds5

About 1-amino-N-butylsulfonylcyclopropane-1-carboxamide;hydrochloride

1-amino-N-butylsulfonylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 67600988) has the molecular formula C8H17ClN2O3S and a molecular weight of 256.75 g/mol. Its IUPAC name is 1-amino-N-butylsulfonylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-butylsulfonylcyclopropane-1-carboxamide;hydrochloride
PubChem CID67600988
Molecular FormulaC8H17ClN2O3S
Molecular Weight256.75 g/mol
Exact Mass256.06
IUPAC Name1-amino-N-butylsulfonylcyclopropane-1-carboxamide;hydrochloride
SMILESCCCCS(=O)(=O)NC(=O)C1(N)CC1.Cl
InChIInChI=1S/C8H16N2O3S.ClH/c1-2-3-6-14(12,13)10-7(11)8(9)4-5-8;/h2-6,9H2,1H3,(H,10,11);1H
InChIKeyPMSNDHXTJVEVHB-UHFFFAOYSA-N
XLogP0.15
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 50.15
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;hydrochloride?
The IUPAC name of 1-amino-N-butylsulfonylcyclopropane-1-carboxamide;hydrochloride (CID 67600988) is 1-amino-N-butylsulfonylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-butylsulfonylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-butylsulfonylcyclopropane-1-carboxamide;hydrochloride is CCCCS(=O)(=O)NC(=O)C1(N)CC1.Cl.
What is the InChIKey of 1-amino-N-butylsulfonylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is PMSNDHXTJVEVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S.ClH/c1-2-3-6-14(12,13)10-7(11)8(9)4-5-8;/h2-6,9H2,1H3,(H,10,11);1H.
What are the key properties of 1-amino-N-butylsulfonylcyclopropane-1-carboxamide;hydrochloride?
1-amino-N-butylsulfonylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 256.75 g/mol, XLogP of 0.15, 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;hydrochloride is sourced from PubChem (CID 67600988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).