N-cyclopropylsulfonylazepane-2-carboxamide

C10H18N2O3S — CID 103308651

IUPACN-cyclopropylsulfonylazepane-2-carboxamide
SMILESO=C(NS(=O)(=O)C1CC1)C1CCCCCN1
InChIInChI=1S/C10H18N2O3S/c13-10(9-4-2-1-3-7-11-9)12-16(14,15)8-5-6-8/h8-9,11H,1-7H2,(H,12,13)
InChIKeyCCQDZZTXSRUSNT-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.13
Rot. Bonds3

About N-cyclopropylsulfonylazepane-2-carboxamide

N-cyclopropylsulfonylazepane-2-carboxamide (PubChem CID 103308651) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is N-cyclopropylsulfonylazepane-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonylazepane-2-carboxamide
PubChem CID103308651
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC NameN-cyclopropylsulfonylazepane-2-carboxamide
SMILESO=C(NS(=O)(=O)C1CC1)C1CCCCCN1
InChIInChI=1S/C10H18N2O3S/c13-10(9-4-2-1-3-7-11-9)12-16(14,15)8-5-6-8/h8-9,11H,1-7H2,(H,12,13)
InChIKeyCCQDZZTXSRUSNT-UHFFFAOYSA-N
XLogP0.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

azepane-2-carbohydrazide
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N-[2-(methanesulfonamido)ethyl]azepane-2-carboxamide
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azacyclohenicosane-2-carboxylic acid
CID 22341743
bis[(2S)-piperidin-2-yl]methanone
CID 174971247
N-(1-methylsulfonylpropan-2-yl)azepane-2-carboxamide
CID 64643195
(2S)-N-cyanopiperidine-2-carboxamide
CID 104914224
N-(cyclooctylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119299438
N-(cyclobutylmethyl)azepane-2-carboxamide
CID 64564563
(2R)-azepane-2-carboxylic acid;hydrochloride
CID 135393254
N-(oxan-4-ylmethyl)azocane-2-carboxamide
CID 114240145

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonylazepane-2-carboxamide?
The IUPAC name of N-cyclopropylsulfonylazepane-2-carboxamide (CID 103308651) is N-cyclopropylsulfonylazepane-2-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonylazepane-2-carboxamide?
The canonical SMILES for N-cyclopropylsulfonylazepane-2-carboxamide is O=C(NS(=O)(=O)C1CC1)C1CCCCCN1.
What is the InChIKey of N-cyclopropylsulfonylazepane-2-carboxamide?
The InChIKey is CCQDZZTXSRUSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c13-10(9-4-2-1-3-7-11-9)12-16(14,15)8-5-6-8/h8-9,11H,1-7H2,(H,12,13).
What are the key properties of N-cyclopropylsulfonylazepane-2-carboxamide?
N-cyclopropylsulfonylazepane-2-carboxamide has a molecular weight of 246.33 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonylazepane-2-carboxamide is sourced from PubChem (CID 103308651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).